Structure & Deep Data of D-Penicillamine (C5H11NO2S)

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:

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. Download structure data file (SDF/MOL) file of this compound.

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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

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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

2439 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).