3-[[4-(3-methoxyphenyl)carbonyl-1-(4-nitrophenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[4-(3-methoxyphenyl)carbonyl-1-(4-nitrophenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(3-methoxybenzoyl)-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[(3-methoxyphenyl)-oxomethyl]-1-[(4-nitrophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(3-methoxybenzoyl)-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-m-anisoyl-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C27H26N4O8S MolecularWeight: 566.58234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O8S/c1-39-20-5-2-4-18(14-20)26(35)29-11-12-30(27(36)17-7-9-19(10-8-17)31(37)38)22(16-29)25(34)28-21(15-24(32)33)23-6-3-13-40-23/h2-10,13-14,21-22H,11-12,15-16H2,1H3,(H,28,34)(H,32,33)