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

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Basic information

CAS: 61772-62-1
Standard SMILES: CC(C)CN(CC(C)C)C(=O)SC[C@H](N)C(=O)O
InChIKey: WLTNFDBTUAMOGX-JTQLQIEISA-N
Molecular formula: C12H24N2O3S
Average molar mass: 276.4 g/mol
Monoisotopic mass: 276.15076381

Names & identifiers

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

Names & synonyms

S-(Diisobutylcarbamoyl)cysteineBRN 1975183L-CYSTEINE, BIS(2-METHYLPROPYL)CARBAMATE (ester)61772-62-1DTXSID60210764RefChem:350617DTXCID90133255S-[Bis(2-methylpropyl)carbamoyl]-L-cysteine

Database identifiers

CAS: 61772-62-1
PubChem CID: 43781
DTXSID: DTXSID60210764

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 18
Formal charge: 0
Complexity: 272

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Compound notes

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