(phenylmethyl) 2-[(4-acetamidophenyl)carbonylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 2-[(4-acetamidophenyl)carbonylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 2-[(4-acetamidobenzoyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[(4-acetamidophenyl)-oxomethyl]amino]-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-acetamidobenzoyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[(4-acetamidobenzoyl)amino]-3-(benzylthio)propionic acid benzyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O4S/c1-19(29)27-23-14-12-22(13-15-23)25(30)28-24(18-33-17-21-10-6-3-7-11-21)26(31)32-16-20-8-4-2-5-9-20/h2-15,24H,16-18H2,1H3,(H,27,29)(H,28,30)