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

Systemtic Name: 3-[[4-(4-fluorophenyl)carbonyl-1-(4-nitrophenyl)carbonyl-piperazin-2-yl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-(4-fluorobenzoyl)-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[(4-fluorophenyl)-oxomethyl]-1-[(4-nitrophenyl)-oxomethyl]-2-piperazinyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-(4-fluorobenzoyl)-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-fluorobenzoyl)-1-(4-nitrobenzoyl)piperazine-2-carbonyl]amino]-3-(2-thienyl)propionic acid Formula: C26H23FN4O7S MolecularWeight: 554.546823

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(C(CN1C(=O)C2=CC=C(C=C2)F)C(=O)NC(CC(=O)O)C3=CC=CS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H23FN4O7S/c27-18-7-3-16(4-8-18)25(35)29-11-12-30(26(36)17-5-9-19(10-6-17)31(37)38)21(15-29)24(34)28-20(14-23(32)33)22-2-1-13-39-22/h1-10,13,20-21H,11-12,14-15H2,(H,28,34)(H,32,33)