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

Systemtic Name: (4R)-4-methyl-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-3-[(3S,5S)-5-[3-(2-thiomorpholin-4-ylethylsulfonyl)-1,3-thiazolidin-2-yl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[3-(2-thiomorpholinoethylsulfonyl)thiazolidin-2-yl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[[(3S,5S)-5-[3-(2-thiomorpholin-4-ylethylsulfonyl)-2-thiazolidinyl]-3-pyrrolidinyl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (4R)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[3-(2-thiomorpholin-4-ylethylsulfonyl)-1,3-thiazolidin-2-yl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (4R)-6-[(1R)-1-hydroxyethyl]-7-keto-4-methyl-3-[[(3S,5S)-5-[3-(2-thiomorpholinoethylsulfonyl)thiazolidin-2-yl]pyrrolidin-3-yl]thio]-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C23H36N4O6S4 MolecularWeight: 592.81514

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C4N(CCS4)S(=O)(=O)CCN5CCSCC5)C(=O)O)C(C)O

Isomeric SMILES

C[C@@H]1C2C(C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C4N(CCS4)S(=O)(=O)CCN5CCSCC5)C(=O)O)[C@@H](C)O

InChI

InChI=1S/C23H36N4O6S4/c1-13-18-17(14(2)28)21(29)27(18)19(23(30)31)20(13)36-15-11-16(24-12-15)22-26(5-9-35-22)37(32,33)10-6-25-3-7-34-8-4-25/h13-18,22,24,28H,3-12H2,1-2H3,(H,30,31)/t13-,14-,15+,16+,17?,18?,22?/m1/s1