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

Systemtic Name: 3-[[3-benzamido-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(2-thenoyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C33H32N4O5S MolecularWeight: 596.69598

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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=CC=CC=C5

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=CC=CC=C5

InChI

InChI=1S/C33H32N4O5S/c1-22-9-11-23(12-10-22)26(21-30(38)39)34-32(41)25-13-14-28(27(20-25)35-31(40)24-6-3-2-4-7-24)36-15-17-37(18-16-36)33(42)29-8-5-19-43-29/h2-14,19-20,26H,15-18,21H2,1H3,(H,34,41)(H,35,40)(H,38,39)