2-azanyl-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-amino-3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]propionic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/c1-5-2-7(12-16-5)11-8(13)4-17-3-6(10)9(14)15/h2,6H,3-4,10H2,1H3,(H,14,15)(H,11,12,13)