2-azanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(3,5-dimethyl-4-isoxazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(3,5-dimethylisoxazol-4-yl)methylthio]propionic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H14N2O3S/c1-5-7(6(2)14-11-5)3-15-4-8(10)9(12)13/h8H,3-4,10H2,1-2H3,(H,12,13)