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

Systemtic Name: 3-[[3-benzamido-4-(4-cyclopropylcarbonylpiperazin-1-yl)phenyl]carbonylamino]-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid CAS Name: 3-[[[3-benzamido-4-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]phenyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-[[3-benzamido-4-[4-(cyclopropanecarbonyl)piperazino]benzoyl]amino]-3-(4-fluorophenyl)propionic acid Formula: C31H31FN4O5 MolecularWeight: 558.600043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)F)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C31H31FN4O5/c32-24-11-8-20(9-12-24)25(19-28(37)38)33-30(40)23-10-13-27(26(18-23)34-29(39)21-4-2-1-3-5-21)35-14-16-36(17-15-35)31(41)22-6-7-22/h1-5,8-13,18,22,25H,6-7,14-17,19H2,(H,33,40)(H,34,39)(H,37,38)