(2S)-2-[[6-(cyclohexylmethyl)-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid

Systemtic Name: (2S)-2-[[6-(cyclohexylmethyl)-2-oxidanylidene-1H-pyridin-3-yl]methylamino]-2-phenyl-ethanoic acid Openeye Name: (2S)-2-[[6-(cyclohexylmethyl)-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid CAS Name: (2S)-2-[[6-(cyclohexylmethyl)-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid IUPAC Name: (2S)-2-[[6-(cyclohexylmethyl)-2-oxo-1H-pyridin-3-yl]methylamino]-2-phenylacetic acid Traditional Name: (2S)-2-[[6-(cyclohexylmethyl)-2-keto-1H-pyridin-3-yl]methylamino]-2-phenyl-acetic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2=CC=C(C(=O)N2)CNC(C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CCC(CC1)CC2=CC=C(C(=O)N2)CN[C@@H](C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H26N2O3/c24-20-17(11-12-18(23-20)13-15-7-3-1-4-8-15)14-22-19(21(25)26)16-9-5-2-6-10-16/h2,5-6,9-12,15,19,22H,1,3-4,7-8,13-14H2,(H,23,24)(H,25,26)/t19-/m0/s1