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

Systemtic Name: 3-pyridin-3-yl-3-[[4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)-3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[oxo-[4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[4-[4-(pyridine-3-carbonyl)piperazin-1-yl]-3-(thiophene-2-carbonylamino)benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[4-(4-nicotinoylpiperazino)-3-(2-thenoylamino)benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C30H28N6O5S MolecularWeight: 584.64552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H28N6O5S/c37-27(38)17-23(21-4-1-9-31-18-21)33-28(39)20-7-8-25(24(16-20)34-29(40)26-6-3-15-42-26)35-11-13-36(14-12-35)30(41)22-5-2-10-32-19-22/h1-10,15-16,18-19,23H,11-14,17H2,(H,33,39)(H,34,40)(H,37,38)