methyl 1-[[4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cycloheptane-1-carboxylate

Systemtic Name: methyl 1-[[4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cycloheptane-1-carboxylate Openeye Name: methyl 1-[[4-benzyloxy-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]cycloheptanecarboxylate CAS Name: 1-[[1,4-dioxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butyl]amino]-1-cycloheptanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]cycloheptane-1-carboxylate Traditional Name: 1-[[4-benzoxy-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]cycloheptanecarboxylic acid methyl ester Formula: C28H34N2O7 MolecularWeight: 510.57876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O7/c1-35-26(33)28(16-10-2-3-11-17-28)30-25(32)23(18-24(31)36-19-21-12-6-4-7-13-21)29-27(34)37-20-22-14-8-5-9-15-22/h4-9,12-15,23H,2-3,10-11,16-20H2,1H3,(H,29,34)(H,30,32)