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Substance Name: L-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo-20,23-dihydroxyansatrienol A
RN: 80111-48-4
InChIKey: VVJDHJZQBGWPEQ-UVDHFMOUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H50-N2-O8

Molecular Weight

  • 638.797
 
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Names and Synonyms

Synonyms

  • Ansatrienin B
  • Antibiotic T 23II

Systematic Name

  • L-Alanine, N-(cyclohexylcarbonyl)-, 11-ester with 20,23-didehydro-20,23-dideoxo-20,23-dihydroxyansatrienol A

Registry Numbers

CAS Registry Number

  • 80111-48-4

System Generated Number

  • 0080111484

Structure Descriptors

InChI

1S/C36H50N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,39,41-42H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5-,12-7-,18-11-,23-14-/t24-,25+,29-,31-,33-/m0/s1

InChIKey

VVJDHJZQBGWPEQ-UVDHFMOUSA-N

Smiles

C[C@H]1[C@H](C/C=C\C=C/C=C\[C@@H](CC(=O)Nc2cc(cc(c2O)CC/C=C(\[C@@H]1O)/C)O)OC)OC(=O)[C@@H](C)NC(=O)C3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 85500ug/kg (85.5mg/kg)   Japanese Kokai Tokyo Koho Patents. Vol. #83-94393,