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

Systemtic Name: 3-[[3-azanyl-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-methylphenyl)propanoic acid Openeye Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(p-tolyl)propanoic acid CAS Name: 3-[[[3-amino-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-methylphenyl)propanoic acid IUPAC Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-methylphenyl)propanoic acid Traditional Name: 3-[[3-amino-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(p-tolyl)propionic acid Formula: C25H30N4O4 MolecularWeight: 450.5301

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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)N

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4CC4)N

InChI

InChI=1S/C25H30N4O4/c1-16-2-4-17(5-3-16)21(15-23(30)31)27-24(32)19-8-9-22(20(26)14-19)28-10-12-29(13-11-28)25(33)18-6-7-18/h2-5,8-9,14,18,21H,6-7,10-13,15,26H2,1H3,(H,27,32)(H,30,31)