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Substance Name: Antibiotic LL-BM123 gamma, N-(beta-phenylethyl)-
ID: CB94430000
InChIKey: HJUBAOGANCORJY-XKFFVBEUSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C44-H67-N13-O13

Molecular Weight

  • 998.1023
 
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Names and Synonyms

Synonym

  • LL-BM123 gamma, N-(beta-Phenylethyl)-

Systematic Name

  • Antibiotic LL-BM123 gamma, N-(beta-phenylethyl)-

Registry Numbers

ID Number

  • NIOSH/CB9443000

System Generated Number

  • CB94430000

Structure Descriptors

InChI

1S/C45H67N13O13/c1-24-31(56-44(64)58-38-34(55-43(49)63)36(60)29(23-66-38)70-39-33(54-42(48)62)32-28(22-67-39)71-45(65)57-32)37(61)35(53-41(46)47)40(68-24)69-27-13-10-26(11-14-27)12-15-30(59)52-20-7-19-50-17-5-6-18-51-21-16-25-8-3-2-4-9-25/h2-4,8-15,24,28-29,31-40,50-51,60-61H,5-7,16-23H2,1H3,(H,52,59)(H,57,65)(H4,46,47,53)(H3,48,54,62)(H3,49,55,63)(H2,56,58,64)/b15-12+/t24-,28-,29-,31-,32+,33-,34-,35-,36+,37+,38+,39+,40-/m1/s1

InChIKey

HJUBAOGANCORJY-XKFFVBEUSA-N

Smiles

C[C@H]1O[C@H](Oc2ccc(\C=C\C(=O)NCCCNCCCCNCCc3ccccc3)cc2)[C@H](N=C(N)N)[C@@H](O)[C@@H]1NC(=O)N[C@H]4OC[C@@H](O[C@@H]5OC[C@H]6OC(=O)N[C@@H]6[C@H]5NC(=O)N)[C@H](O)[C@H]4NC(=O)N