(2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid

Systemtic Name: (2S,3R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid Openeye Name: (2S,3R)-2-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-4-[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid CAS Name: (2S,3R)-2-[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]-4-[[(3S,5R)-5-[dimethylamino(oxo)methyl]-3-pyrrolidinyl]thio]-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid IUPAC Name: (2S,3R)-2-[(2S,3R)-1,3-dihydroxy-1-oxobutan-2-yl]-4-[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-2,3-dihydro-1H-pyrrole-5-carboxylic acid Traditional Name: (4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxy-propyl]-3-[[(3S,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]thio]-4-methyl-2-pyrroline-2-carboxylic acid Formula: C17H27N3O6S MolecularWeight: 401.47778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C(C(C)O)C(=O)O

Isomeric SMILES

C[C@@H]1[C@@H](NC(=C1S[C@H]2C[C@@H](NC2)C(=O)N(C)C)C(=O)O)[C@@H]([C@@H](C)O)C(=O)O

InChI

InChI=1S/C17H27N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h7-12,18-19,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t7-,8-,9+,10-,11-,12-/m1/s1