Home Structure D-Penicillamine

Structure of D-Penicillamine (C5H11NO2S)

Identification of D-Penicillamine Chemical Compound

2D chemical structure image of D-Penicillamine
Chemical Formula C5H11NO2S
Molecular Weight 149.21134 g/mol
IUPAC Name (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid
SMILES String CC(C)(S)C(N)C(O)=O
InChI InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
InChIKey VVNCNSJFMMFHPL-VKHMYHEASA-N

Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The D-Penicillamine molecule contains a total of 19 bond(s) There are 8 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s) and 1 thiol(s).
Images of the chemical structure of D-Penicillamine are given below:

2D chemical structure image of D-Penicillamine
2-dimensional (2D) chemical structure image of D-Penicillamine
3D chemical structure image of D-Penicillamine
3-dimensional (3D) chemical structure image of D-Penicillamine

The 2D chemical structure image of D-Penicillamine is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of D-Penicillamine are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of D-Penicillamine is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of D-Penicillamine.


An Interactive 3-dimensional (3D) Visualization of D-Penicillamine

For a better understanding of the chemical structure, an interactive 3D visualization of D-Penicillamine is provided here.

The D-Penicillamine molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the D-Penicillamine molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of D-Penicillamine can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to a image file.





More Properties of D-Penicillamine

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying D-Penicillamine Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of D-Penicillamine

    The SMILES string of D-Penicillamine is CC(C)(S)C(N)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the D-Penicillamine.

  • Structure Data File (SDF/MOL File) of D-Penicillamine

    The structure data file (SDF/MOL File) of D-Penicillamine is available for download in the SDF page of D-Penicillamine, which provides the information about the atoms, bonds, connectivity and coordinates of D-Penicillamine. The D-Penicillamine structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of D-Penicillamine

    The molecular formula of D-Penicillamine is available in chemical formula page of D-Penicillamine, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of D-Penicillamine

    The molecular weight of D-Penicillamine is available in molecular weight page of D-Penicillamine, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.

  • Other names (synonyms) or registry numbers of D-Penicillamine

    The D-Penicillamine compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of D-Penicillamine including the various registry numbers, if available:

    • T6647376
    • Cupriminereg
    • Penicillamine, United States Pharmacopeia (USP) Reference Standard
    • (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid3-sulfanyl-D-valine
    • Penicillamine, European Pharmacopoeia (EP) Reference Standard
    • Depen;Distamine;D-Mercaptovaline;D-Penamine;Kuprenil;Cuprimine
    • (2S)-2-azanyl-3-methyl-3-sulfanyl-butanoic acid;hydrochloride
    • (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;hydrochloride
    • (2S)-2-amino-3-mercapto-3-methylbutanoic acid;hydrochloride
    • (2S)-2-amino-3-mercapto-3-methyl-butyric acid;hydrochloride
    • K-9599
    • EN300-52608
    • CAS-52-67-5
    • RTR-032192
    • BDBM50217941
    • ANW-31517
    • HY-B0300
    • CPD-7702
    • BDBM39346
    • GTPL7264
    • D-Penicillamine, 98-101%
    • D010396
    • Epitope ID:113237
    • GNN1DV99GX
    • Penicillamine [USAN:USP:INN:BAN:JAN]
    • D-(-) penicillamine
    • Depen Tab 250mg
    • 3-Thio-D-valine
    • 3,3-Dimethyl-D(-)-cysteine
    • Atamir
    • beta,beta Dimethylcysteine
    • Penicillaminate, Copper
    • D 3 Mercaptovaline
    • 16414-54-3
    • D Penicillamine
    • D-(-)-2-Amino-3-mercapto-3-methylbutanoic acid
    • P-1280
    • D00496
    • P0147
    • MFCD00064302
    • Distamine
    • (2S)-2-amino-3-methyl-3-sulfanyl-butanoic acid
    • 3-Mercaptovaline
    • Metalcaptase (*Hydrochloride*)
    • Penicillamine (JAN/USP/INN)
    • Bio-0578
    • Distamine (*Hydrochloride*)
    • alpha-Amino-beta-methyl-beta-mercaptobutyric acid
    • 3,3-Dimethyl-D-cysteine
    • Penicillamine [USAN:INN:BAN:JAN]
    • Depen (TN)
    • D-beta-Mercaptovaline
    • (S)-2-amino-3-mercapto-3-methylbutanoic acid
    • Cuprimine (TN)
    • (D)-PENICILLAMINE
    • D-Penicyllamine
    • H-D-Pen-OH
    • Sufortan
    • Penicilllamine
    • Copper penicillaminate
    • Valine, 3-mercapto-, D-
    • Reduced D-penicillamine
    • Penicillaminum [INN-Latin]
    • Penicilamina [INN-Spanish]
    • 3-sulfanyl-D-valine
    • Penicillamina
    • Reduced penicillamine
    • d,3-Mercaptovaline
    • (S)-Penicillamine
    • (S)-Penicillamin
    • Penicillamina [DCIT]
    • D-Penicilamine
    • beta,beta-Dimethylcysteine
    • D-3-Mercaptovaline
    • D-beta,beta-Dimethylcysteine
    • Dimethylcysteine
    • beta-Thiovaline
    • Sufirtan
    • Kuprenil
    • Penicillaminum
    • Penicilamina
    • D-Valine, 3-mercapto-
    • (S)-3,3-Dimethylcysteine
    • D-Mercaptovaline
    • Trolovol
    • Perdolat
    • Penicillamin
    • Pendramine
    • Metalcaptase
    • Mercaptyl
    • Depamine
    • Cupripen
    • Mercaptovaline
    • D-Penamine
    • Artamine
    • (-)-Penicillamine
    • Cuprenil
    • 3-Mercapto-D-valine
    • Depen
    • D-(-)-Penicillamine
    • 52-67-5
    • Cuprimine
    • penicillamine
    • D-Penicillamine

Additional Outstanding Products

D-Penicillamine Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of D-Penicillamine?
C5H11NO2S
How many atoms and what are the elements included the D-Penicillamine molecule?
20 atom(s) - 11 Hydrogen atom(s), 5 Carbon atom(s), 1 Nitrogen atom(s), 2 Oxygen atom(s) and 1 Sulfur atom(s)
How many chemical bonds and what kind of bonds are included the D-Penicillamine structure?
19 bond(s) - 8 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s), 1 double bond(s), 1 carboxylic acid(s) (aliphatic), 1 primary amine(s) (aliphatic), 1 hydroxyl group(s) and 1 thiol(s)
What’s the D-Penicillamine’s molecular weight?
149.21134 g/mol
What’s the SMILES code of D-Penicillamine?
CC(C)(S)C(N)C(O)=O
What’s the InChI string of D-Penicillamine?
InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
What’s the InChIKey code of D-Penicillamine?
VVNCNSJFMMFHPL-VKHMYHEASA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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