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

Systemtic Name: 3-[[4-(4-cyclopropylcarbonylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-[4-(cyclopropanecarbonyl)piperazino]-3-[(4-nitrobenzoyl)amino]benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C29H29N5O7S MolecularWeight: 591.63486

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=CS4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H29N5O7S/c35-26(36)17-23(25-2-1-15-42-25)31-28(38)20-7-10-24(32-11-13-33(14-12-32)29(39)19-3-4-19)22(16-20)30-27(37)18-5-8-21(9-6-18)34(40)41/h1-2,5-10,15-16,19,23H,3-4,11-14,17H2,(H,30,37)(H,31,38)(H,35,36)