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

Systemtic Name: (2S)-2-(2-phenylbutanoylamino)-3-[4-(quinolin-4-ylcarbonylamino)phenyl]propanoic acid Openeye Name: (2S)-2-(2-phenylbutanoylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid CAS Name: (2S)-2-[(1-oxo-2-phenylbutyl)amino]-3-[4-[[oxo(4-quinolinyl)methyl]amino]phenyl]propanoic acid IUPAC Name: (2S)-2-(2-phenylbutanoylamino)-3-[4-(quinoline-4-carbonylamino)phenyl]propanoic acid Traditional Name: (2S)-3-[4-(cinchoninoylamino)phenyl]-2-(2-phenylbutanoylamino)propionic acid Formula: C29H27N3O4 MolecularWeight: 481.54238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C1=CC=CC=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/C29H27N3O4/c1-2-22(20-8-4-3-5-9-20)27(33)32-26(29(35)36)18-19-12-14-21(15-13-19)31-28(34)24-16-17-30-25-11-7-6-10-23(24)25/h3-17,22,26H,2,18H2,1H3,(H,31,34)(H,32,33)(H,35,36)/t22?,26-/m0/s1