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

Systemtic Name: 3-[[3-[(3-methylphenyl)carbamoylamino]-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[3-(m-tolylcarbamoylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[3-[[(3-methylanilino)-oxomethyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[3-[(3-methylphenyl)carbamoylamino]-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(m-tolylcarbamoylamino)-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(3-pyridyl)propionic acid Formula: C32H32N6O5S MolecularWeight: 612.69868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C32H32N6O5S/c1-21-5-2-7-24(17-21)34-32(43)36-26-18-22(30(41)35-25(19-29(39)40)23-6-3-11-33-20-23)9-10-27(26)37-12-14-38(15-13-37)31(42)28-8-4-16-44-28/h2-11,16-18,20,25H,12-15,19H2,1H3,(H,35,41)(H,39,40)(H2,34,36,43)