3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbamoylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbamoylamino]phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbamoylamino]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[[(4-nitroanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbamoylamino]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(4-nitrophenyl)carbamoylamino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C28H29N7O8 MolecularWeight: 591.57196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H29N7O8/c1-43-28(40)34-13-11-33(12-14-34)24-9-4-18(26(38)31-22(16-25(36)37)19-3-2-10-29-17-19)15-23(24)32-27(39)30-20-5-7-21(8-6-20)35(41)42/h2-10,15,17,22H,11-14,16H2,1H3,(H,31,38)(H,36,37)(H2,30,32,39)