3-[[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[[3-nitro-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-nitro-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-nitro-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-nitro-benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C24H23N5O6S MolecularWeight: 509.53432

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)[N+](=O)[O-])C(=O)C4=CN=CC=C4

InChI

InChI=1S/C24H23N5O6S/c30-22(31)14-18(21-4-2-12-36-21)26-23(32)16-5-6-19(20(13-16)29(34)35)27-8-10-28(11-9-27)24(33)17-3-1-7-25-15-17/h1-7,12-13,15,18H,8-11,14H2,(H,26,32)(H,30,31)