2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetyl]amino]-3-methyl-valeric acid Formula: C14H22N2O4S MolecularWeight: 314.40048

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSCC1=C(ON=C1C)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSCC1=C(ON=C1C)C

InChI

InChI=1S/C14H22N2O4S/c1-5-8(2)13(14(18)19)15-12(17)7-21-6-11-9(3)16-20-10(11)4/h8,13H,5-7H2,1-4H3,(H,15,17)(H,18,19)