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Home SDF/Mol File D-Penicillamine

SDF/Mol File 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of D-Penicillamine is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of D-Penicillamine molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

3D chemical structure image of D-Penicillamine
Ball-and-stick model of D-Penicillamine



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

  • Chemical structure of D-Penicillamine

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of D-Penicillamine is available in chemical structure page of D-Penicillamine, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of D-Penicillamine

    The chemical formula of D-Penicillamine is given 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.

  • InChI (IUPAC International Chemical Identifier) information of D-Penicillamine

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of D-Penicillamine is:

    InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1

    It can provide a standard way to encode the molecular information of D-Penicillamine to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of D-Penicillamine is:

    InChIKey=VVNCNSJFMMFHPL-VKHMYHEASA-N

    The InChIKey may allow easier web searches for D-Penicillamine, but it needs to be linked to the full InChI to get back to the original structure of the D-Penicillamine since the full standard InChI cannot be reconstructed from the InChIKey.

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

    The D-Penicillamine compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of D-Penicillamine including the registry numbers are listed below, 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 D-Penicillamine formula?
C5H11NO2S
How many atoms and what elements are included in 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 in 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 molar mass?
149.21134 g/mol
What’s the SMILES structure of D-Penicillamine?
CC(C)(S)C(N)C(O)=O
What’s the InChI code 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 format of D-Penicillamine?
VVNCNSJFMMFHPL-VKHMYHEASA-N

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