2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(5-chloranylpyridin-2-yl)-methyl-amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[(5-chloro-2-pyridinyl)-methylamino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[(5-chloropyridin-2-yl)-methylamino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[(5-chloro-2-pyridyl)-methyl-amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C13H18ClN3O3S MolecularWeight: 331.81832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN3O3S/c1-17(11-4-3-9(14)7-15-11)8-12(18)16-10(13(19)20)5-6-21-2/h3-4,7,10H,5-6,8H2,1-2H3,(H,16,18)(H,19,20)