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

Systemtic Name: 4-azanyl-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-4-keto-butyric acid Formula: C12H17N3O5S MolecularWeight: 315.34548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O5S/c1-6-8(7(2)20-15-6)4-21-5-11(17)14-9(12(18)19)3-10(13)16/h9H,3-5H2,1-2H3,(H2,13,16)(H,14,17)(H,18,19)