3-methyl-2-[[2-oxidanylidene-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]butanoic acid

Systemtic Name: 3-methyl-2-[[2-oxidanylidene-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]butanoic acid Openeye Name: 3-methyl-2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]butanoic acid CAS Name: 3-methyl-2-[[2-oxo-2-[[3-(propylthio)-1,2,4-thiadiazol-5-yl]amino]ethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[[2-oxo-2-[(3-propylsulfanyl-1,2,4-thiadiazol-5-yl)amino]ethyl]amino]butanoic acid Traditional Name: 2-[[2-keto-2-[[3-(propylthio)-1,2,4-thiadiazol-5-yl]amino]ethyl]amino]-3-methyl-butyric acid Formula: C12H20N4O3S2 MolecularWeight: 332.4422

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NSC(=N1)NC(=O)CNC(C(C)C)C(=O)O

Isomeric SMILES

CCCSC1=NSC(=N1)NC(=O)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C12H20N4O3S2/c1-4-5-20-12-15-11(21-16-12)14-8(17)6-13-9(7(2)3)10(18)19/h7,9,13H,4-6H2,1-3H3,(H,18,19)(H,14,15,16,17)