(phenylmethyl) 2-[[2-acetamido-3-(phenylmethylsulfanyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: (phenylmethyl) 2-[[2-acetamido-3-(phenylmethylsulfanyl)propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: benzyl 2-[(2-acetamido-3-benzylsulfanyl-propanoyl)amino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-acetamido-1-oxo-3-(phenylmethylthio)propyl]amino]-3-(phenylmethylthio)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-acetamido-3-benzylsulfanylpropanoyl)amino]-3-benzylsulfanylpropanoate Traditional Name: 2-[[2-acetamido-3-(benzylthio)propanoyl]amino]-3-(benzylthio)propionic acid benzyl ester Formula: C29H32N2O4S2 MolecularWeight: 536.70538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(CSCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H32N2O4S2/c1-22(32)30-26(20-36-18-24-13-7-3-8-14-24)28(33)31-27(21-37-19-25-15-9-4-10-16-25)29(34)35-17-23-11-5-2-6-12-23/h2-16,26-27H,17-21H2,1H3,(H,30,32)(H,31,33)