L-Cysteine, N-acetyl-, bis(2-methylpropyl)carbamate (ester)

HCID 43783

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Basic information

CAS: 61772-65-4
Standard SMILES: CC(=O)N[C@@H](CSC(=O)N(CC(C)C)CC(C)C)C(=O)O
InChIKey: YXGATBQUFZVIOF-LBPRGKRZSA-N
Molecular formula: C14H26N2O4S
Average molar mass: 318.43 g/mol
Monoisotopic mass: 318.16132849

Names & identifiers

Preferred name: L-Cysteine, N-acetyl-, bis(2-methylpropyl)carbamate (ester)
IUPAC: (2R)-2-acetamido-3-[bis(2-methylpropyl)carbamoylsulfanyl]propanoic acid

Names & synonyms

BRN 1995091L-CYSTEINE, N-ACETYL-, BIS(2-METHYLPROPYL)CARBAMATE (ester)N-Acetyl-L-cysteine bis(2-methylpropyl)carbamate (ester)DTXSID8021076661772-65-4RefChem:350628DTXCID10133257N-Acetyl-S-[bis(2-methylpropyl)carbamoyl]-L-cysteine

Database identifiers

CAS: 61772-65-4
PubChem CID: 43783
DTXSID: DTXSID80210766

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 21
Formal charge: 0
Complexity: 362

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