3-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[3-[(6-chloranylpyridin-3-yl)carbonylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-[(6-chloropyridine-3-carbonyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-[[(6-chloro-3-pyridinyl)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-[(6-chloropyridine-3-carbonyl)amino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-[(6-chloronicotinoyl)amino]-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C32H30ClN5O5S MolecularWeight: 632.1291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CN=C(C=C5)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)NC(=O)C5=CN=C(C=C5)Cl

InChI

InChI=1S/C32H30ClN5O5S/c1-20-4-6-21(7-5-20)24(18-29(39)40)35-30(41)22-8-10-26(25(17-22)36-31(42)23-9-11-28(33)34-19-23)37-12-14-38(15-13-37)32(43)27-3-2-16-44-27/h2-11,16-17,19,24H,12-15,18H2,1H3,(H,35,41)(H,36,42)(H,39,40)