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

Systemtic Name: 3-[[3-(methoxycarbonylamino)-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-(methoxycarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-(methoxycarbonylamino)-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-(methoxycarbonylamino)-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(carbomethoxyamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C26H27N5O6S MolecularWeight: 537.58748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)NC1=C(C=CC(=C1)C(=O)NC(CC(=O)O)C2=CC=CS2)N3CCN(CC3)C(=O)C4=CN=CC=C4

InChI

InChI=1S/C26H27N5O6S/c1-37-26(36)29-19-14-17(24(34)28-20(15-23(32)33)22-5-3-13-38-22)6-7-21(19)30-9-11-31(12-10-30)25(35)18-4-2-8-27-16-18/h2-8,13-14,16,20H,9-12,15H2,1H3,(H,28,34)(H,29,36)(H,32,33)