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Substance Name: Antibiotic LL-BM123 gamma, N-ethyl-
ID: CB94410000
InChIKey: LGVICNUZZQJJKI-VILZVYRHSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C38-H63-N13-O13

Molecular Weight

  • 922.0047
 
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Names and Synonyms

Synonym

  • LL-BM123 gamma, N-Ethyl-

Systematic Name

  • Antibiotic LL-BM123 gamma, N-ethyl-

Registry Numbers

ID Number

  • NIOSH/CB9441000

System Generated Number

  • CB94410000

Structure Descriptors

InChI

1S/C39H63N13O13/c1-3-44-13-4-5-14-45-15-6-16-46-24(53)12-9-20-7-10-21(11-8-20)63-34-29(47-35(40)41)31(55)25(19(2)62-34)50-38(58)52-32-28(49-37(43)57)30(54)23(18-60-32)64-33-27(48-36(42)56)26-22(17-61-33)65-39(59)51-26/h7-12,19,22-23,25-34,44-45,54-55H,3-6,13-18H2,1-2H3,(H,46,53)(H,51,59)(H4,40,41,47)(H3,42,48,56)(H3,43,49,57)(H2,50,52,58)/b12-9+/t19-,22-,23-,25-,26+,27-,28-,29-,30+,31+,32+,33+,34-/m1/s1

InChIKey

LGVICNUZZQJJKI-VILZVYRHSA-N

Smiles

CCNCCCCNCCCNC(=O)\C=C\c1ccc(O[C@H]2O[C@H](C)[C@@H](NC(=O)N[C@H]3OC[C@@H](O[C@@H]4OC[C@H]5OC(=O)N[C@@H]5[C@H]4NC(=O)N)[C@H](O)[C@H]3NC(=O)N)[C@H](O)[C@H]2N=C(N)N)cc1