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Substance Name: Amythiamicin B
RN: 156620-48-3
InChIKey: ZVLJONLPGJUTCW-UHFFFAOYSA-N

Note

  • Isolated from Amycolatopsis.

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C50-H53-N15-O9-S6

Molecular Weight

  • 1200.46
 
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Names and Synonyms

Name of Substance

  • Amythiamicin B

Synonym

  • Amythiamicin B

Systematic Name

  • L-Prolinamide, N-((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)-4-thiazolyl)carbonyl)-L-seryl-

Registry Numbers

CAS Registry Number

  • 156620-48-3

System Generated Number

  • 0156620483

Structure Descriptors

InChI

1S/C50H53N15O9S6/c1-20(2)35-48-61-31(19-79-48)46-57-27(15-76-46)38-23(9-10-24(54-38)45-59-30(18-77-45)42(72)56-26(14-66)50(74)65-11-7-8-32(65)39(51)69)44-58-29(17-75-44)41(71)55-25(12-33(67)52-6)47-64-37(22(5)80-47)43(73)63-36(21(3)4)49-60-28(16-78-49)40(70)53-13-34(68)62-35/h9-10,15-21,25-26,32,35-36,66H,7-8,11-14H2,1-6H3,(H2,51,69)(H,52,67)(H,53,70)(H,55,71)(H,56,72)(H,62,68)(H,63,73)

InChIKey

ZVLJONLPGJUTCW-UHFFFAOYSA-N

Smiles

N1(C([C@@H](NC(c2nc(sc2)c2nc3c(cc2)c2scc(n2)C(N[C@@H](c2sc(C)c(C(N[C@@H](c4scc(C(NCC(=O)N[C@@H](c5scc(c6scc3n6)n5)C(C)C)=O)n4)C(C)C)=O)n2)CC(=O)NC)=O)=O)CO)=O)CCC[C@@H]1C(N)=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.