(4R,5S,6S)-6-((1R)-1-Hydroxyethyl)-3-(((3S,5S)-5-((1R)-1-Hydroxy-3-(Methylamino)Propyl)Pyrrolidin-3-Yl)Thio)-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]Hept-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H29N3O5S
IUPAC Name (4r,5s,6s)-6-[(1r)-1-hydroxyethyl]-3-[(3s,5s)-5-[(1r)-1-hydroxy-3-(methylamino)propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
Molecular Mass 399.505 g·mol−1
Heat of Formation -832.0 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 474.76 Å 3
Surface Area 371.47 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • ( )-(4r,5s,6s)-6-((r)-1-hydroxyethyl)-3-((3s,5s)-5-((r)-1-hydroxy-3-(methyl-amino)propyl)-3-pyrrolidinyl)thio)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid.
  • (1r,5s,6s)-6-[1(r)-hydroxyethyl]-2-[2(s)-[1(r)-hydroxy-3-(methylamino)propyl]pyrrolidin-4(s)-ylthio]-1-methyl-1-carba-2-penem-3-carboxylic acid monohydrochloride monohydrate
  • (4r,5s,6s)-6-(1-hydroxyethyl)-3-[(3s,5s)-5-[(1r)-1-hydroxy-3-methylamino-propyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-3-[(3s,5s)-5-[(1r)-1-hydroxy-3-methylaminopropyl]pyrrolidin-3-yl]sulfanyl-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-3-[[(3s,5s)-5-[(1r)-1-hydroxy-3-methylamino-propyl]pyrrolidin-3-yl]thio]-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • (4r,5s,6s)-6-(1-hydroxyethyl)-3-[[(3s,5s)-5-[(1r)-1-hydroxy-3-methylaminopropyl]-3-pyrrolidinyl]thio]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • lenapenem
CAS Number(s)
  • 149951-16-6
InChIKey PZLOCBSBEUDCPF-YJIVIRPOSA-N
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