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

Systemtic Name: 3-[[3-[(3-methoxyphenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(3-methoxyphenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(3-methoxybenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-(m-anisoylamino)-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C32H31N5O6S MolecularWeight: 613.68344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5=CN=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)N4CCN(CC4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H31N5O6S/c1-43-24-7-2-5-21(17-24)30(40)34-25-18-22(31(41)35-26(19-29(38)39)28-8-4-16-44-28)9-10-27(25)36-12-14-37(15-13-36)32(42)23-6-3-11-33-20-23/h2-11,16-18,20,26H,12-15,19H2,1H3,(H,34,40)(H,35,41)(H,38,39)