(3R,4R)-3-azaniumyl-5-[[(2S,3R)-3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-4-sulfanyl-pentane-1-sulfonate

Systemtic Name: (3R,4R)-3-azaniumyl-5-[[(2S,3R)-3-methyl-1-oxidanyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-4-sulfanyl-pentane-1-sulfonate Openeye Name: (3R,4R)-3-azaniumyl-5-[[(1S,2R)-1-carboxy-2-methyl-butyl]amino]-5-oxo-4-sulfanyl-pentane-1-sulfonate CAS Name: (3R,4R)-3-ammonio-5-[[(2S,3R)-1-hydroxy-3-methyl-1-oxopentan-2-yl]amino]-4-mercapto-5-oxo-1-pentanesulfonate IUPAC Name: (3R,4R)-3-azaniumyl-5-[[(2S,3R)-1-hydroxy-3-methyl-1-oxopentan-2-yl]amino]-5-oxo-4-sulfanylpentane-1-sulfonate Traditional Name: (3R,4R)-3-ammonio-5-[[(1S,2R)-1-carboxy-2-methyl-butyl]amino]-5-keto-4-mercapto-pentane-1-sulfonate Formula: C11H22N2O6S2 MolecularWeight: 342.43218

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C(CCS(=O)(=O)[O-])[NH3+])S

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](CCS(=O)(=O)[O-])[NH3+])S

InChI

InChI=1S/C11H22N2O6S2/c1-3-6(2)8(11(15)16)13-10(14)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H,13,14)(H,15,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1