4-methylsulfanyl-2-(3-propan-2-yloxypropylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(3-propan-2-yloxypropylcarbamoylamino)butanoic acid Openeye Name: 2-(3-isopropoxypropylcarbamoylamino)-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(3-propan-2-yloxypropylamino)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(3-propan-2-yloxypropylcarbamoylamino)butanoic acid Traditional Name: 2-(3-isopropoxypropylcarbamoylamino)-4-(methylthio)butyric acid Formula: C12H24N2O4S MolecularWeight: 292.39496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC(C)OCCCNC(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H24N2O4S/c1-9(2)18-7-4-6-13-12(17)14-10(11(15)16)5-8-19-3/h9-10H,4-8H2,1-3H3,(H,15,16)(H2,13,14,17)