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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)O)CNC(=O)C(CC1=CN=CC=C1)N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)O)CNC(=O)[C@@H](CC1=CN=CC=C1)N

InChI

InChI=1S/C16H25N3O3/c1-11(2)6-13(8-15(20)21)10-19-16(22)14(17)7-12-4-3-5-18-9-12/h3-5,9,11,13-14H,6-8,10,17H2,1-2H3,(H,19,22)(H,20,21)/t13-,14+/m0/s1