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Substance Name: 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(3(R*),5-alpha,6-alpha(S*)))-
RN: 82475-10-3
InChIKey: HNLNYXRYILRJHY-CIGZNWKYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N3-O8-S

Molecular Weight

  • 473.5439
 
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Names and Synonyms

Synonyms

  • Antibiotic OA 6129B(sub 2)
  • OA-6129B2

Systematic Name

  • 1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((2-((3-((2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)amino)-1-oxopropyl)amino)ethyl)thio)-6-(1-hydroxyethyl)-7-oxo-, (5R-(3(R*),5-alpha,6-alpha(S*)))-

Registry Numbers

CAS Registry Number

  • 82475-10-3

System Generated Number

  • 0082475103

Structure Descriptors

InChI

1S/C20H31N3O8S/c1-10(25)14-11-8-12(15(19(30)31)23(11)18(14)29)32-7-6-21-13(26)4-5-22-17(28)16(27)20(2,3)9-24/h10-11,14,16,24-25,27H,4-9H2,1-3H3,(H,21,26)(H,22,28)(H,30,31)/t10-,11+,14+,16-/m0/s1

InChIKey

HNLNYXRYILRJHY-CIGZNWKYSA-N

Smiles

C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   European Patent Application. Vol. #48999,