(2S)-3-methyl-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[methylsulfonyl(4-pyridylmethyl)amino]butanoic acid CAS Name: (2S)-3-methyl-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[methylsulfonyl(pyridin-4-ylmethyl)amino]butanoic acid Traditional Name: (2S)-2-[mesyl(4-pyridylmethyl)amino]-3-methyl-butyric acid Formula: C12H18N2O4S MolecularWeight: 286.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N(CC1=CC=NC=C1)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O4S/c1-9(2)11(12(15)16)14(19(3,17)18)8-10-4-6-13-7-5-10/h4-7,9,11H,8H2,1-3H3,(H,15,16)/t11-/m0/s1