(2S,3R)-2-(2-carboxyethylamino)-3-methyl-4-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-3-sulfino-butanoic acid

Systemtic Name: (2S,3R)-2-(2-carboxyethylamino)-3-methyl-4-(5-oxidanyl-5-oxidanylidene-pentanoyl)oxy-3-sulfino-butanoic acid Openeye Name: (2S,3R)-2-(2-carboxyethylamino)-4-(5-hydroxy-5-oxo-pentanoyl)oxy-3-methyl-3-sulfino-butanoic acid CAS Name: (2S,3R)-2-(2-carboxyethylamino)-4-(5-hydroxy-1,5-dioxopentoxy)-3-methyl-3-sulfinobutanoic acid IUPAC Name: (2S,3R)-2-(2-carboxyethylamino)-4-(5-hydroxy-5-oxopentanoyl)oxy-3-methyl-3-sulfinobutanoic acid Traditional Name: (2S,3R)-2-(2-carboxyethylamino)-4-(5-hydroxy-5-keto-pentanoyl)oxy-3-methyl-3-sulfino-butyric acid Formula: C13H21NO10S MolecularWeight: 383.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=O)CCCC(=O)O)(C(C(=O)O)NCCC(=O)O)S(=O)O

Isomeric SMILES

C[C@](COC(=O)CCCC(=O)O)([C@H](C(=O)O)NCCC(=O)O)S(=O)O

InChI

InChI=1S/C13H21NO10S/c1-13(25(22)23,7-24-10(19)4-2-3-8(15)16)11(12(20)21)14-6-5-9(17)18/h11,14H,2-7H2,1H3,(H,15,16)(H,17,18)(H,20,21)(H,22,23)/t11-,13-/m0/s1