(2S)-2-azanyl-4-methyl-N-[3-oxidanyl-1-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepan-4-yl]pentanamide

Systemtic Name: (2S)-2-azanyl-4-methyl-N-[3-oxidanyl-1-[2-(3-pyridin-2-ylphenyl)ethanoyl]azepan-4-yl]pentanamide Openeye Name: (2S)-2-amino-N-[3-hydroxy-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]-4-methyl-pentanamide CAS Name: (2S)-2-amino-N-[3-hydroxy-1-[1-oxo-2-[3-(2-pyridinyl)phenyl]ethyl]-4-azepanyl]-4-methylpentanamide IUPAC Name: (2S)-2-amino-N-[3-hydroxy-1-[2-(3-pyridin-2-ylphenyl)acetyl]azepan-4-yl]-4-methylpentanamide Traditional Name: (2S)-2-amino-N-[3-hydroxy-1-[2-[3-(2-pyridyl)phenyl]acetyl]azepan-4-yl]-4-methyl-valeramide Formula: C25H34N4O3 MolecularWeight: 438.56246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCCN(CC1O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1CCCN(CC1O)C(=O)CC2=CC=CC(=C2)C3=CC=CC=N3)N

InChI

InChI=1S/C25H34N4O3/c1-17(2)13-20(26)25(32)28-22-10-6-12-29(16-23(22)30)24(31)15-18-7-5-8-19(14-18)21-9-3-4-11-27-21/h3-5,7-9,11,14,17,20,22-23,30H,6,10,12-13,15-16,26H2,1-2H3,(H,28,32)/t20-,22?,23?/m0/s1