L-Cysteine, N-acetyl-S-(3-oxobutyl)-

HCID 185147

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Basic information

CAS: 92079-08-8
Standard SMILES: CC(=O)CCSC[C@H](NC(C)=O)C(=O)O
InChIKey: PDFRFJPDJVSXMZ-QMMMGPOBSA-N
Molecular formula: C9H15NO4S
Average molar mass: 233.29 g/mol
Monoisotopic mass: 233.07217913

Names & identifiers

Preferred name: L-Cysteine, N-acetyl-S-(3-oxobutyl)-
IUPAC: (2R)-2-acetamido-3-(3-oxobutylsulfanyl)propanoic acid

Names & synonyms

92079-08-8L-Cysteine, N-acetyl-S-(3-oxobutyl)-DTXSID70919377n-acetyl-(s-3-oxobutyl)-l-cysteineN-Acetyl-S-(3-oxobutyl)-L-cysteineN-(1-Hydroxyethylidene)-S-(3-oxobutyl)cysteineN-(1-Hydroxyethylidene)-S-(3-oxobutyl)-L-cysteine(R)-2-Acetamido-3-((3-oxobutyl)thio)propanoic acid

Database identifiers

CAS: 92079-08-8
PubChem CID: 185147
DTXSID: DTXSID70919377
Nikkaji: J1.192.151E

Properties

Computed structural properties

XLogP: -0.5
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 15
Formal charge: 0
Complexity: 254

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