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CAS 364622-82-2

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1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, hydrate (1:1), (4R,5S,6S)-

Description:
1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, with the CAS number 364622-82-2, is a complex organic compound characterized by its bicyclic structure, which includes a nitrogen atom in the ring system. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of a pyrrolidine moiety indicates that it may exhibit biological activity, possibly interacting with various biological targets. The specific stereochemistry, denoted by the (4R,5S,6S) configuration, suggests that the compound has distinct spatial arrangements that can influence its pharmacological properties. Additionally, the presence of a sulfonamide group indicates potential for hydrogen bonding and interactions with biological systems. As a hydrate, it contains water molecules in its structure, which can affect its solubility and stability. Overall, this compound's unique structural features and functional groups suggest it may have applications in medicinal chemistry, particularly in the development of pharmaceuticals.
Formula:C15H24N4O6S2·H2O
InChI:InChI=1S/C15H24N4O6S2.H2O/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25;/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25);1H2/t6-,7-,8+,9+,10-,11-;/m1./s1
InChI key:InChIKey=NTUBEBXBDGKBTJ-WGLOMNHJSA-N
SMILES:C(O)(=O)C=1N2[C@@]([C@@]([C@@H](C)O)(C2=O)[H])([C@@H](C)C1S[C@H]3C[C@@H](CNS(N)(=O)=O)NC3)[H].O
Synonyms:
  • (+)-(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-Methyl-7-Oxo-3-[[(3S,5S)-5-[(Sulfamoylamino)-Methyl]-3-Pyrrolidinyl]Thio]-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid Hydrate
  • (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate (1:1)
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, hydrate (1:1), (4R,5S,6S)-
  • 1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-5-[[(aminosulfonyl)amino]methyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-, monohydrate, (4R,5S,6S)-
  • Doripenem monohydrate
  • Doripenem hydrate
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