3-[(2R,3S,4R)-4-methyl-2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanylpropanoic acid

Systemtic Name: 3-[(2R,3S,4R)-4-methyl-2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-oxidanyl-5-oxidanylidene-pyrrolidin-2-yl]carbonylsulfanylpropanoic acid Openeye Name: 3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-4-methyl-5-oxo-pyrrolidine-2-carbonyl]sulfanylpropanoic acid CAS Name: 3-[[[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxo-2-pyrrolidinyl]-oxomethyl]thio]propanoic acid IUPAC Name: 3-[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoic acid Traditional Name: 3-[[(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methyl-propyl]-5-keto-4-methyl-prolyl]thio]propionic acid Formula: C13H21NO6S MolecularWeight: 319.37394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(NC1=O)(C(C(C)C)O)C(=O)SCCC(=O)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@](NC1=O)([C@H](C(C)C)O)C(=O)SCCC(=O)O)O

InChI

InChI=1S/C13H21NO6S/c1-6(2)9(17)13(10(18)7(3)11(19)14-13)12(20)21-5-4-8(15)16/h6-7,9-10,17-18H,4-5H2,1-3H3,(H,14,19)(H,15,16)/t7-,9+,10+,13-/m1/s1