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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCC1=CC=CC=N1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCC1=CC=CC=N1

InChI

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