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Substance Name: Antibiotic LL-BM123 gamma, N-tetrahydrothiopyran-4-yl
ID: CB94440000
InChIKey: LCBHFYBNJQVTKS-NMHXKYLISA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C41-H66-N13-O13-S

Molecular Weight

  • 994.1353
 
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Names and Synonyms

Synonym

  • LL-BM123 gamma, N-Tetrahydrothiopyran-4-yl-

Systematic Name

  • Antibiotic LL-BM123 gamma, N-tetrahydrothiopyran-4-yl

Registry Numbers

ID Number

  • NIOSH/CB9444000

System Generated Number

  • CB94440000

Structure Descriptors

InChI

1S/C42H67N13O13S/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)66-24-8-5-22(6-9-24)7-10-27(56)49-16-4-14-47-13-2-3-15-48-23-11-17-69-18-12-23/h5-10,21,23,25-26,28-37,47-48,57-58H,2-4,11-20H2,1H3,(H,49,56)(H,54,62)(H4,43,44,50)(H3,45,51,59)(H3,46,52,60)(H2,53,55,61)/b10-7+/t21-,25-,26-,28-,29+,30-,31-,32-,33+,34+,35+,36+,37-/m1/s1

InChIKey

LCBHFYBNJQVTKS-NMHXKYLISA-N

Smiles

C[C@H]1O[C@H](Oc2ccc(\C=C\C(=O)NCCCNCCCCNC3CCSCC3)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