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

Systemtic Name: (3R,4R)-3-azaniumyl-5-[[(2S,3R)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]amino]-5-oxidanylidene-4-sulfanyl-pentane-1-sulfonate Openeye Name: (3R,4R)-3-azaniumyl-5-[[(1S,2R)-1-carbamoyl-2-methyl-butyl]amino]-5-oxo-4-sulfanyl-pentane-1-sulfonate CAS Name: (3R,4R)-5-[[(2S,3R)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-ammonio-4-mercapto-5-oxo-1-pentanesulfonate IUPAC Name: (3R,4R)-5-[[(2S,3R)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-3-azaniumyl-5-oxo-4-sulfanylpentane-1-sulfonate Traditional Name: (3R,4R)-3-ammonio-5-[[(1S,2R)-1-carbamoyl-2-methyl-butyl]amino]-5-keto-4-mercapto-pentane-1-sulfonate Formula: C11H23N3O5S2 MolecularWeight: 341.44742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H23N3O5S2/c1-3-6(2)8(10(13)15)14-11(16)9(20)7(12)4-5-21(17,18)19/h6-9,20H,3-5,12H2,1-2H3,(H2,13,15)(H,14,16)(H,17,18,19)/t6-,7-,8+,9-/m1/s1