ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]ethanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]acetate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]acetic acid ethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CNC(=O)C(CSCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-2-28-20(25)13-23-21(26)19(16-30-15-18-11-7-4-8-12-18)24-22(27)29-14-17-9-5-3-6-10-17/h3-12,19H,2,13-16H2,1H3,(H,23,26)(H,24,27)