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Substance Name: Amythiamicin A
RN: 152741-89-4
InChIKey: BAGBLRBLZUISAJ-UHFFFAOYSA-N

Note

  • Isolated from Amycolatopsis.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C50-H51-N15-O8-S6

Molecular Weight

  • 1182.45
 
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Names and Synonyms

Name of Substance

  • Amythiamicin A

Synonym

  • Amythiamicin A

Systematic Name

  • 9H,16H-8,5:15,12:22,19:32,29:36,33-Pentanitrilo-5H,29H,33H-pyrido(3,2-al) (1,11,18,25,31,4,7,14,21)pentathiatetraazacyclotetratriacontine-11-acetamide, 10,11,17,18,23,24,25,26,27,28-decahydro-2-(4-(4-((2-(aminocarbonyl)-1-pyrrolidinyl)carbonyl)-4,5-dihydro-2-oxalyl)-2-thiazolyl)-18,28-(bis(1-methylethyl)-N,14-dimethyl-

Registry Numbers

CAS Registry Number

  • 152741-89-4

System Generated Number

  • 0152741894

Structure Descriptors

InChI

1S/C50H51N15O8S6/c1-20(2)35-48-61-31(19-78-48)46-57-27(15-75-46)38-23(9-10-24(54-38)45-60-30(18-76-45)43-56-26(14-73-43)50(72)65-11-7-8-32(65)39(51)68)44-58-29(17-74-44)41(70)55-25(12-33(66)52-6)47-64-37(22(5)79-47)42(71)63-36(21(3)4)49-59-28(16-77-49)40(69)53-13-34(67)62-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H2,51,68)(H,52,66)(H,53,69)(H,55,70)(H,62,67)(H,63,71)

InChIKey

BAGBLRBLZUISAJ-UHFFFAOYSA-N

Smiles

C1NC(c2nc([C@@H](NC(c3nc(sc3C)[C@@H](NC(c3csc(c4ccc(nc4c4nc(c5nc([C@@H](NC1=O)C(C)C)sc5)sc4)c1nc(cs1)C=1OC[C@@H](N1)C(N1CCC[C@@H]1C(N)=O)=O)n3)=O)CC(=O)NC)=O)C(C)C)sc2)=O

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.