O4-methyl O1-(4-nitrophenyl) 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate

Systemtic Name: O4-methyl O1-(4-nitrophenyl) 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate Openeye Name: O4-methyl O1-(4-nitrophenyl) 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]butanedioate CAS Name: 2-[[1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanedioic acid O4-methyl ester O1-(4-nitrophenyl) ester IUPAC Name: 4-O-methyl 1-O-(4-nitrophenyl) 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanedioate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]succinic acid O4-methyl ester O1-(4-nitrophenyl) ester Formula: C28H27N3O9 MolecularWeight: 549.52868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H27N3O9/c1-38-25(32)17-24(27(34)40-22-14-12-21(13-15-22)31(36)37)29-26(33)23(16-19-8-4-2-5-9-19)30-28(35)39-18-20-10-6-3-7-11-20/h2-15,23-24H,16-18H2,1H3,(H,29,33)(H,30,35)