Synnematin B

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Properties Simple | Detailed

Formula C14H21N3O6S
IUPAC Name (2s,5r,6r)-6-[[(5r)-5-amino-5-carboxy-pentanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 359.398 g·mol−1
Heat of Formation -1041.5 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 414.02 Å 3
Surface Area 326.4 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-(5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (2s,5r,6r)-6-[(5r)-5-amino-5-carboxypentanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(5r)-5-amino-6-hydroxy-1,6-dioxohexyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(5r)-5-amino-6-hydroxy-6-keto-hexanoyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(5r)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(5r)-5-amino-6-hydroxy-6-oxohexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (4-amino-4-carboxybutyl)penicillin
  • (d-4-amino-4-carboxybutyl) penicillinic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((5-amino-5-carboxy-1-oxopentyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta(s*)))- (9ci)
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-, d-
  • 6-(5-amino-5-carboxyvaleramido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • 6-n-((5-amino-5-carboxy)pentanoyl)aminopenicillansaeure
  • 6beta-[(5r)-5-amino-5-carboxypentanamido]-2,2-dimethylpenam-3alpha-carboxylic acid
  • adicillin
  • adicillin (chirality on amino-carboxy-butyl chain not given)
  • adicillin [ban:inn]
  • adicillinum
  • cephalosphorin r
  • cephalosporin n
  • penicillin n
  • salmotin
  • synnematin n
CAS Number(s)
  • 525-94-0
InChIKey MIFYHUACUWQUKT-GPUHXXMPSA-N
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