3-[[3-benzamido-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid

Systemtic Name: 3-[[3-benzamido-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C32H34N4O5 MolecularWeight: 554.63616

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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)C4CC4)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)C4CC4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C32H34N4O5/c1-21-7-9-22(10-8-21)26(20-29(37)38)33-31(40)25-13-14-28(27(19-25)34-30(39)23-5-3-2-4-6-23)35-15-17-36(18-16-35)32(41)24-11-12-24/h2-10,13-14,19,24,26H,11-12,15-18,20H2,1H3,(H,33,40)(H,34,39)(H,37,38)