2-azanyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-methylisoxazol-3-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-methyl-3-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-methylisoxazol-3-yl)methylthio]propionic acid Formula: C8H12N2O3S MolecularWeight: 216.25748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O3S/c1-5-2-6(10-13-5)3-14-4-7(9)8(11)12/h2,7H,3-4,9H2,1H3,(H,11,12)