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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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