2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]-3-sulfanyl-propanoate

Systemtic Name: 2-[3-[[3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]-3-sulfanyl-propanoate Openeye Name: 2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]-3-sulfanyl-propanoate CAS Name: 2-[[3-[(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino]-1-oxopropyl]amino]-3-mercaptopropanoate IUPAC Name: 2-[3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]-3-sulfanylpropanoate Traditional Name: 2-[3-[(2,4-dihydroxy-3,3-dimethyl-butanoyl)amino]propanoylamino]-3-mercapto-propionate Formula: C12H21N2O6S- MolecularWeight: 321.36994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C(C(=O)NCCC(=O)NC(CS)C(=O)[O-])O

Isomeric SMILES

CC(C)(CO)C(C(=O)NCCC(=O)NC(CS)C(=O)[O-])O

InChI

InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)/p-1