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Substance Name: Amythiamicin D
RN: 156620-46-1
InChIKey: CEKXFMGPQFBJOI-UHFFFAOYSA-N

Note

  • Isolated from Amycolatopsis.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C43-H42-N12-O7-S6

Molecular Weight

  • 1031.28
 
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Names and Synonyms

Name of Substance

  • Amythiamicin D

Synonym

  • Amythiamicin D

Systematic Name

  • 4-Thiazolecarboxylic acid, 2-(10,11,17,18,23,24,25,26,27,28-decahydro-14-methyl-11-(2-(methylamino)-2-oxoethyl)-18,28-bis(1-methylethyl)-9,16,23,26-tetraoxo-9H,16H-8,5:15,12:22,19:32,29:36,33-pentanitrilo-5H,29H,33H-pyrido(3,2-a1)(1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontin-2-yl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 156620-46-1

System Generated Number

  • 0156620461

Structure Descriptors

InChI

1S/C43H42N12O7S6/c1-17(2)30-41-51-26(15-67-41)39-48-23(12-64-39)33-20(8-9-21(46-33)38-52-27(16-65-38)43(61)62-7)37-49-25(14-63-37)35(59)47-22(10-28(56)44-6)40-55-32(19(5)68-40)36(60)54-31(18(3)4)42-50-24(13-66-42)34(58)45-11-29(57)53-30/h8-9,12-18,22,30-31H,10-11H2,1-7H3,(H,44,56)(H,45,58)(H,47,59)(H,53,57)(H,54,60)

InChIKey

CEKXFMGPQFBJOI-UHFFFAOYSA-N

Smiles

C(c1nc(sc1)c1ccc2c(n1)c1nc(c3nc([C@@H](C(C)C)NC(=O)CNC(c4csc(n4)[C@@H](NC(c4nc(sc4C)[C@@H](NC(c4nc2sc4)=O)CC(=O)NC)=O)C(C)C)=O)sc3)sc1)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 100mg/kg (100mg/kg)   Journal of Antibiotics. Vol. 47, Pg. 668, 1994.