4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(3-pyridylmethylcarbamoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(3-pyridinylmethylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(3-pyridylmethylcarbamoylamino)butyric acid Formula: C12H17N3O3S MolecularWeight: 283.34668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CN=CC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CN=CC=C1

InChI

InChI=1S/C12H17N3O3S/c1-19-6-4-10(11(16)17)15-12(18)14-8-9-3-2-5-13-7-9/h2-3,5,7,10H,4,6,8H2,1H3,(H,16,17)(H2,14,15,18)