(2S)-2-[ethanoyl(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[ethanoyl(pyridin-3-ylmethyl)amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[acetyl(3-pyridylmethyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[acetyl(3-pyridinylmethyl)amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[acetyl(pyridin-3-ylmethyl)amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[acetyl(3-pyridylmethyl)amino]-3-methyl-butyric acid Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-9(2)12(13(17)18)15(10(3)16)8-11-5-4-6-14-7-11/h4-7,9,12H,8H2,1-3H3,(H,17,18)/t12-/m0/s1