2-[1-[[[(2R)-2-azanyl-3-quinolin-2-yl-propanoyl]amino]methyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[[[(2R)-2-azanyl-3-quinolin-2-yl-propanoyl]amino]methyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[[[(2R)-2-amino-3-(2-quinolyl)propanoyl]amino]methyl]cyclohexyl]acetic acid CAS Name: 2-[1-[[[(2R)-2-amino-1-oxo-3-(2-quinolinyl)propyl]amino]methyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[[[(2R)-2-amino-3-quinolin-2-ylpropanoyl]amino]methyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[[[(2R)-2-amino-3-(2-quinolyl)propanoyl]amino]methyl]cyclohexyl]acetic acid Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)CNC(=O)C(CC2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)CNC(=O)[C@@H](CC2=NC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C21H27N3O3/c22-17(12-16-9-8-15-6-2-3-7-18(15)24-16)20(27)23-14-21(13-19(25)26)10-4-1-5-11-21/h2-3,6-9,17H,1,4-5,10-14,22H2,(H,23,27)(H,25,26)/t17-/m1/s1