4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl-methyl-amino]butanoic acid

Systemtic Name: 4-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]-methyl-amino]butyric acid Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C13H20N2O4S/c1-9-11(10(2)19-14-9)7-20-8-12(16)15(3)6-4-5-13(17)18/h4-8H2,1-3H3,(H,17,18)