[3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxidanylidene-4-phenyl-butyl] 2,6-dimethylbenzoate

Systemtic Name: [3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxidanylidene-4-phenyl-butyl] 2,6-dimethylbenzoate Openeye Name: [3-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-oxo-4-phenyl-butyl] 2,6-dimethylbenzoate CAS Name: 2,6-dimethylbenzoic acid [3-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-2-oxo-4-phenylbutyl] ester IUPAC Name: [3-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-2-oxo-4-phenylbutyl] 2,6-dimethylbenzoate Traditional Name: 2,6-dimethylbenzoic acid [3-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-2-keto-4-phenyl-butyl] ester Formula: C32H36N2O6 MolecularWeight: 544.63804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)OCC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C32H36N2O6/c1-21(2)29(34-32(38)40-19-25-16-9-6-10-17-25)30(36)33-26(18-24-14-7-5-8-15-24)27(35)20-39-31(37)28-22(3)12-11-13-23(28)4/h5-17,21,26,29H,18-20H2,1-4H3,(H,33,36)(H,34,38)