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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSCC(C(=O)O)N

Isomeric SMILES

CC1=NOC(=C1)CSCC(C(=O)O)N

InChI

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