IP1

ISOPENICILLIN N


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Chemical Component Summary

NameISOPENICILLIN N
Identifiers(2S,5R,6R)-6-[[(5S)-5-amino-6-hydroxy-6-oxo-hexanoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
FormulaC14 H21 N3 O6 S
Molecular Weight359.398
TypeNON-POLYMER
Isomeric SMILESCC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CCC[C@@H](C(=O)O)N)C(=O)O)C
InChIInChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1
InChIKeyMIFYHUACUWQUKT-GTQWGBSQSA-N

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count4
Bond Count46
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB03550 
NameIsopenicillin N
Groups experimental
SynonymsIsopenicillin N
Categories
  • Amides
  • beta-Lactams
  • Heterocyclic Compounds, Fused-Ring
  • Lactams
  • Sulfur Compounds
CAS number58678-43-6

Related Resource References

Resource NameReference
PubChem 440723, 25201752
ChEBI CHEBI:18165