(2S)-2-(cyclobutylcarbonylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: (2S)-2-(cyclobutylcarbonylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(cyclobutanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[[cyclobutyl(oxo)methyl]amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(cyclobutanecarbonylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(cyclobutanecarbonylamino)propionic acid Formula: C24H23N3O4 MolecularWeight: 417.45712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

Isomeric SMILES

C1CC(C1)C(=O)N[C@@H](CC2=CC=C(C=C2)NC(=O)C3=CC=NC4=CC=CC=C34)C(=O)O

InChI

InChI=1S/C24H23N3O4/c28-22(16-4-3-5-16)27-21(24(30)31)14-15-8-10-17(11-9-15)26-23(29)19-12-13-25-20-7-2-1-6-18(19)20/h1-2,6-13,16,21H,3-5,14H2,(H,26,29)(H,27,28)(H,30,31)/t21-/m0/s1