(3S)-3-[[[(2R)-2-azanyl-3-pyridin-2-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid

Systemtic Name: (3S)-3-[[[(2R)-2-azanyl-3-pyridin-2-yl-propanoyl]amino]methyl]-5-methyl-hexanoic acid Openeye Name: (3S)-3-[[[(2R)-2-amino-3-(2-pyridyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid CAS Name: (3S)-3-[[[(2R)-2-amino-1-oxo-3-(2-pyridinyl)propyl]amino]methyl]-5-methylhexanoic acid IUPAC Name: (3S)-3-[[[(2R)-2-amino-3-pyridin-2-ylpropanoyl]amino]methyl]-5-methylhexanoic acid Traditional Name: (3S)-3-[[[(2R)-2-amino-3-(2-pyridyl)propanoyl]amino]methyl]-5-methyl-hexanoic acid Formula: C16H25N3O3 MolecularWeight: 307.388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CC=CC=N1)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CC=CC=N1)N

InChI

InChI=1S/C16H25N3O3/c1-11(2)7-12(8-15(20)21)10-19-16(22)14(17)9-13-5-3-4-6-18-13/h3-6,11-12,14H,7-10,17H2,1-2H3,(H,19,22)(H,20,21)/t12-,14+/m0/s1