(2S)-2-[[1-(4-methylphenyl)cyclopentyl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[1-(4-methylphenyl)cyclopentyl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-[[1-(p-tolyl)cyclopentanecarbonyl]amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[[1-(4-methylphenyl)cyclopentyl]-oxomethyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[[1-(4-methylphenyl)cyclopentanecarbonyl]amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-[[1-(p-tolyl)cyclopentanecarbonyl]amino]propionic acid Formula: C32H31N3O4 MolecularWeight: 521.60624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCCC2)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCCC2)C(=O)N[C@@H](CC3=CC=C(C=C3)NC(=O)C4=CC=NC5=CC=CC=C45)C(=O)O

InChI

InChI=1S/C32H31N3O4/c1-21-8-12-23(13-9-21)32(17-4-5-18-32)31(39)35-28(30(37)38)20-22-10-14-24(15-11-22)34-29(36)26-16-19-33-27-7-3-2-6-25(26)27/h2-3,6-16,19,28H,4-5,17-18,20H2,1H3,(H,34,36)(H,35,39)(H,37,38)/t28-/m0/s1