(2R)-3-[(2R)-3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

HCID 178782004

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Basic information

CAS: 26527-27-5
Standard SMILES: CCOC(=O)[C@H](CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1
InChIKey: NLBXBPQGPOPMOL-PMACEKPBSA-N
Molecular formula: C24H28N2O8S
Average molar mass: 504.6 g/mol

Names & identifiers

Preferred name: (2R)-3-[(2R)-3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
IUPAC: (2R)-3-[(2R)-3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid
English name: 3,3'-Thiobis(N-benzyloxycarbonyl-L-alanine ethyl) ester
Molecular formula: C26H32N2O8S
Molecular weight: 532.61

Names & synonyms

26527-27-53,3'-Thiobis(N-benzyloxycarbonyl-L-alanine ethyl) esterN,N'-Di-(benzyloxycarbonyl)-meso-lanthionin-diethylesterAlanine, 3,3'-thiobis[N-carboxy-, N,N'-dibenzyl diethyl ester, L- (8CI)

Database identifiers

CAS: 26527-27-5

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 166 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 9
Rotatable bonds: 16
Heavy atoms: 35
Formal charge: 0
Complexity: 680

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