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Substance Name: Antibiotic LL-BM123 gamma, N-cyclopentyl-
ID: CB94400000
InChIKey: DVIUOHKPKCDEMI-ZTYIRLJRSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H66-N13-O13

Molecular Weight

  • 962.0693
 
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Names and Synonyms

Synonym

  • LL-BM123 gamma, N-Cyclopentyl-

Systematic Name

  • Antibiotic LL-BM123 gamma, N-cyclopentyl-

Registry Numbers

ID Number

  • NIOSH/CB9440000

System Generated Number

  • CB94400000

Structure Descriptors

InChI

1S/C42H67N13O13/c1-21-28(53-41(61)55-35-31(52-40(46)60)33(57)26(20-63-35)67-36-30(51-39(45)59)29-25(19-64-36)68-42(62)54-29)34(58)32(50-38(43)44)37(65-21)66-24-12-9-22(10-13-24)11-14-27(56)49-18-6-16-47-15-4-5-17-48-23-7-2-3-8-23/h9-14,21,23,25-26,28-37,47-48,57-58H,2-8,15-20H2,1H3,(H,49,56)(H,54,62)(H4,43,44,50)(H3,45,51,59)(H3,46,52,60)(H2,53,55,61)/b14-11+/t21-,25-,26-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1

InChIKey

DVIUOHKPKCDEMI-ZTYIRLJRSA-N

Smiles

C[C@H]1O[C@H](Oc2ccc(\C=C\C(=O)NCCCNCCCCNC3CCCC3)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