L-Cysteine, N-acetyl-, dipropylcarbamate (ester)

HCID 43782

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Basic information

CAS: 61772-64-3
Standard SMILES: CCCN(CCC)C(=O)SC[C@H](NC(C)=O)C(=O)O
InChIKey: FMFXLSORDBVQBX-JTQLQIEISA-N
Molecular formula: C12H22N2O4S
Average molar mass: 290.38 g/mol
Monoisotopic mass: 290.13002836

Names & identifiers

Preferred name: L-Cysteine, N-acetyl-, dipropylcarbamate (ester)
IUPAC: (2R)-2-acetamido-3-(dipropylcarbamoylsulfanyl)propanoic acid

Names & synonyms

L-CYSTEINE, N-ACETYL-, DIPROPYLCARBAMATE (ester)61772-64-3RefChem:1088152S-(N,N-Dipropylcarbamoyl)-N-acetylcysteineBRN 1993479N-Acetyl-L-cysteine dipropylcarbamate (ester)DTXSID10977350S-(Dipropylcarbamoyl)-N-(1-hydroxyethylidene)cysteineS-(Dipropylcarbamoyl)-N-(1-hydroxyethylidene)-L-cysteine

Database identifiers

CAS: 61772-64-3
PubChem CID: 43782
DTXSID: DTXSID10977350

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 112 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 19
Formal charge: 0
Complexity: 317

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