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Substance Name: Antibiotic LL-BM123 gamma, N-isopropyl-
ID: CB94420000
InChIKey: FJPCGBFVXKBORY-QTRGFMEWSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Natural Product

Molecular Formula

  • C39-H65-N13-O13

Molecular Weight

  • 936.0315
 
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Names and Synonyms

Synonym

  • LL-BM123 gamma, N-Isopropyl-

Systematic Name

  • Antibiotic LL-BM123 gamma, N-isopropyl-

Registry Numbers

ID Number

  • NIOSH/CB9442000

System Generated Number

  • CB94420000

Structure Descriptors

InChI

1S/C40H65N13O13/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(54)12-9-21-7-10-22(11-8-21)64-35-30(48-36(41)42)32(56)26(20(3)63-35)51-39(59)53-33-29(50-38(44)58)31(55)24(18-61-33)65-34-28(49-37(43)57)27-23(17-62-34)66-40(60)52-27/h7-12,19-20,23-24,26-35,45-46,55-56H,4-6,13-18H2,1-3H3,(H,47,54)(H,52,60)(H4,41,42,48)(H3,43,49,57)(H3,44,50,58)(H2,51,53,59)/b12-9+/t20-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-/m1/s1

InChIKey

FJPCGBFVXKBORY-QTRGFMEWSA-N

Smiles

CC(C)NCCCCNCCCNC(=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