2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]-1-oxoethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-3-methyl-butyric acid Formula: C13H18ClN3O3 MolecularWeight: 299.75332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)CN(C)C1=NC=C(C=C1)Cl

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)CN(C)C1=NC=C(C=C1)Cl

InChI

InChI=1S/C13H18ClN3O3/c1-8(2)12(13(19)20)16-11(18)7-17(3)10-5-4-9(14)6-15-10/h4-6,8,12H,7H2,1-3H3,(H,16,18)(H,19,20)