3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-(4-methoxycarbonyl-1-piperazinyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-methoxycarbonylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-carbomethoxypiperazino)-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C27H27N5O8S MolecularWeight: 581.59698

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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=CC=CS3)NC(=O)C4=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=CC=CS3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N5O8S/c1-40-27(37)31-12-10-30(11-13-31)22-9-6-18(26(36)29-21(16-24(33)34)23-3-2-14-41-23)15-20(22)28-25(35)17-4-7-19(8-5-17)32(38)39/h2-9,14-15,21H,10-13,16H2,1H3,(H,28,35)(H,29,36)(H,33,34)