N-Acetyl-D-penicillamine

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Systematic / IUPAC Name: 2-Acetamido-3-methyl-3-sulfanylbutanoic acid

ID: Reference509

Other Names: N-Acetyl-3-sulfanyl-D-valine;
N-Acetyl-3-mercapto-D-valine;
N-Acetylpenicillamine;
N-Acetyl-3-mercaptovaline;
D-Valine, N-acetyl-3-mercapto-

Formula: C7H13NO3S

Spectral Data

N-Acetyl-D-penicillamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 2
No. of Spectra 217
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI
Analyzers FT
Last Modification 1/29/2015 10:55:27 AM
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Identificators

InChI InChI=1S/C7H13NO3S/c1-4(9)8-5(6(10)11)7(2,3)12/h5,12H,1-3H3,(H,8,9)(H,10,11)/t5-/m0/s1
InChI Key MNNBCKASUFBXCO-YFKPBYRVSA-N
Canonical SMILES CC(=O)NC(C(=O)O)C(C)(C)S
CAS 15537710
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Other Names N-Acetyl-3-sulfanyl-D-valine;
N-Acetyl-3-mercapto-D-valine;
N-Acetylpenicillamine;
N-Acetyl-3-mercaptovaline;
D-Valine, N-acetyl-3-mercapto-

In Other Databases

PubChem 65532
ChemSpider 58976
ChEBI CHEBI:61198
ChemIDPlus 000059530