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Substance Name: Amythiamicin C
RN: 156620-47-2
InChIKey: RVTQSVRTXQTCKX-UHFFFAOYSA-N

Note

  • Polythiazole-containing cyclic peptide antibiotic from Amycolatopsis.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C50-H50-N14-O9-S6

Molecular Weight

  • 1183.43
 
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Names and Synonyms

Name of Substance

  • Amythiamicin C

Synonym

  • Amythiamicin C

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)-, (octahydro-1,4-dioxopyrrolo(1,2-a)pyrazin-3-yl)methyl ester

Registry Numbers

CAS Registry Number

  • 156620-47-2

System Generated Number

  • 0156620472

Structure Descriptors

InChI

1S/C50H50N14O9S6/c1-20(2)35-47-59-30(18-78-47)45-56-27(15-75-45)38-23(9-10-24(53-38)44-60-31(19-76-44)50(72)73-14-26-49(71)64-11-7-8-32(64)41(69)55-26)43-57-29(17-74-43)40(68)54-25(12-33(65)51-6)46-63-37(22(5)79-46)42(70)62-36(21(3)4)48-58-28(16-77-48)39(67)52-13-34(66)61-35/h9-10,15-21,25-26,32,35-36H,7-8,11-14H2,1-6H3,(H,51,65)(H,52,67)(H,54,68)(H,55,69)(H,61,66)(H,62,70)

InChIKey

RVTQSVRTXQTCKX-UHFFFAOYSA-N

Smiles

C(c1nc(sc1)c1nc2c(cc1)c1scc(C(N[C@@H](c3sc(C)c(C(N[C@@H](c4scc(C(NCC(=O)N[C@@H](c5scc(c6scc2n6)n5)C(C)C)=O)n4)C(C)C)=O)n3)CC(=O)NC)=O)n1)(=O)OC[C@@H]1C(N2[C@@H](C(N1)=O)CCC2)=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.