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

Systemtic Name: 3-[[3-[(4-cyanophenyl)carbonylamino]-4-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[[[3-[[(4-cyanophenyl)-oxomethyl]amino]-4-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-[4-(pyridine-3-carbonyl)piperazin-1-yl]benzoyl]amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[[3-[(4-cyanobenzoyl)amino]-4-(4-nicotinoylpiperazino)benzoyl]amino]-3-(2-thienyl)propionic acid Formula: C32H28N6O5S MolecularWeight: 608.66692

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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)NC(=O)C4=CC=C(C=C4)C#N)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CC=CS3)NC(=O)C4=CC=C(C=C4)C#N)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C32H28N6O5S/c33-19-21-5-7-22(8-6-21)30(41)35-25-17-23(31(42)36-26(18-29(39)40)28-4-2-16-44-28)9-10-27(25)37-12-14-38(15-13-37)32(43)24-3-1-11-34-20-24/h1-11,16-17,20,26H,12-15,18H2,(H,35,41)(H,36,42)(H,39,40)