(2S)-2-[[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,2-bis(chloranyl)-1-methyl-cyclopropyl]carbonylamino]-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-[(2,2-dichloro-1-methyl-cyclopropanecarbonyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[(2,2-dichloro-1-methylcyclopropyl)-oxomethyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-[(2,2-dichloro-1-methyl-cyclopropanecarbonyl)amino]propionic acid Formula: C24H21Cl2N3O4 MolecularWeight: 486.34724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1(Cl)Cl)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

CC1(CC1(Cl)Cl)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C24H21Cl2N3O4/c1-23(13-24(23,25)26)22(33)29-19(21(31)32)12-14-6-8-15(9-7-14)28-20(30)17-10-11-27-18-5-3-2-4-16(17)18/h2-11,19H,12-13H2,1H3,(H,28,30)(H,29,33)(H,31,32)/t19-,23?/m0/s1