(phenylmethyl) 4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate

Systemtic Name: (phenylmethyl) 4-methyl-2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate Openeye Name: benzyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C31H36N2O5S MolecularWeight: 548.69294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H36N2O5S/c1-23(2)18-27(30(35)37-19-24-12-6-3-7-13-24)32-29(34)28(22-39-21-26-16-10-5-11-17-26)33-31(36)38-20-25-14-8-4-9-15-25/h3-17,23,27-28H,18-22H2,1-2H3,(H,32,34)(H,33,36)