3-[[1-(2-methoxy-5-nitro-phenyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[[1-(2-methoxy-5-nitro-phenyl)piperidin-4-yl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[1-(2-methoxy-5-nitro-phenyl)piperidine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(2-methoxy-5-nitrophenyl)-4-piperidinyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[1-(2-methoxy-5-nitrophenyl)piperidine-4-carbonyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[1-(2-methoxy-5-nitro-phenyl)isonipecotoyl]amino]propionic acid Formula: C24H28N4O8 MolecularWeight: 500.50112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])N2CCC(CC2)C(=O)NCC(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O8/c1-35-21-8-7-18(28(33)34)13-20(21)27-11-9-17(10-12-27)22(29)25-14-19(23(30)31)26-24(32)36-15-16-5-3-2-4-6-16/h2-8,13,17,19H,9-12,14-15H2,1H3,(H,25,29)(H,26,32)(H,30,31)