(4R,5S,6S)-4-methyl-3-[(5R)-5-(methylsulfonylmethylamino)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (4R,5S,6S)-4-methyl-3-[(5R)-5-(methylsulfonylmethylamino)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(5R)-5-(methylsulfonylmethylamino)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[(5R)-5-(methylsulfonylmethylamino)-3-pyrrolidinyl]thio]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[(5R)-5-(methylsulfonylmethylamino)pyrrolidin-3-yl]sulfanyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-3-[[(5R)-5-(mesylmethylamino)pyrrolidin-3-yl]thio]-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C16H25N3O6S2 MolecularWeight: 419.5162

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)NCS(=O)(=O)C)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3C[C@H](NC3)NCS(=O)(=O)C)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C16H25N3O6S2/c1-7-12-11(8(2)20)15(21)19(12)13(16(22)23)14(7)26-9-4-10(17-5-9)18-6-27(3,24)25/h7-12,17-18,20H,4-6H2,1-3H3,(H,22,23)/t7-,8-,9?,10-,11-,12-/m1/s1