4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid

Systemtic Name: 4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid Openeye Name: 4-methylsulfanyl-2-(2-morpholinoethylcarbamoylamino)butanoic acid CAS Name: 4-(methylthio)-2-[[[2-(4-morpholinyl)ethylamino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-(2-morpholin-4-ylethylcarbamoylamino)butanoic acid Traditional Name: 4-(methylthio)-2-(2-morpholinoethylcarbamoylamino)butyric acid Formula: C12H23N3O4S MolecularWeight: 305.39372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NCCN1CCOCC1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NCCN1CCOCC1

InChI

InChI=1S/C12H23N3O4S/c1-20-9-2-10(11(16)17)14-12(18)13-3-4-15-5-7-19-8-6-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)