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Substance Name: N-Acetylisopenicillin
RN: 84713-89-3
InChIKey: GOLGDHZBVHFUPX-YKTPBDCMSA-L

Note

  • From Streptomyces tokunonensis.

Molecular Weight

  • 445.4019
 
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Names and Synonyms

Name of Substance

  • N-Acetylisopenicillin

Systematic Name

  • 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-((5-(acetylamino)-5-carboxy-1-oxopentyl)amino)-3,3-dimethyl-7-oxo-, disodium salt, (2S-(2alpha,5alpha,6beta(R*)))-

Registry Numbers

CAS Registry Number

  • 84713-89-3

System Generated Number

  • 0084713893

Structure Descriptors

InChI

1S/C16H23N3O7S.2Na/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19;;/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26);;/q;2*+1/p-2/t8?,10-,11+,13-;;/m1../s1

InChIKey

GOLGDHZBVHFUPX-YKTPBDCMSA-L

Smiles

[Na+].[Na+].CC(=O)NC(CCCC(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(=O)[O-])C(=O)[O-]