(phenylmethyl) 3-methyl-2-[[3-(phenylcarbonylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate

Systemtic Name: (phenylmethyl) 3-methyl-2-[[3-(phenylcarbonylsulfanyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoate Openeye Name: benzyl 2-[[3-benzoylsulfanyl-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butanoate CAS Name: 2-[[3-(benzoylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-3-methylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-benzoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: 2-[[3-(benzoylthio)-2-(benzyloxycarbonylamino)propanoyl]amino]-3-methyl-butyric acid benzyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H32N2O6S/c1-21(2)26(28(34)37-18-22-12-6-3-7-13-22)32-27(33)25(20-39-29(35)24-16-10-5-11-17-24)31-30(36)38-19-23-14-8-4-9-15-23/h3-17,21,25-26H,18-20H2,1-2H3,(H,31,36)(H,32,33)