ethyl 2-[[2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-(phenylmethoxycarbonylamino)-4-(phenylmethylsulfanyl)butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-4-benzylsulfanyl-butanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-4-(phenylmethylthio)butyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-benzylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(benzylthio)butanoyl]amino]acetic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CCSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)C(CCSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H28N2O5S/c1-2-29-21(26)15-24-22(27)20(13-14-31-17-19-11-7-4-8-12-19)25-23(28)30-16-18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3,(H,24,27)(H,25,28)