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Substance Name: Liblomycin
RN: 88266-67-5
InChIKey: KYYQSAMPTLGNIQ-CIGKBZFWSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C99-H125-N19-O25-S2

Molecular Weight

  • 2045.3165
 
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Names and Synonyms

Name of Substance

  • Liblomycin

Synonyms

  • CCRIS 1270
  • Liblomycin
  • N1-(3-((3-(Bis((3,4-bis(phenylmethoxy)phenyl)methylamino)propyl)methylamino)propyl)bleomycinamide
  • NK 313

Systematic Names

  • Bleomycinamide, N1-(3-((3-(bis((3,4-bis(phenylmethoxy)phenyl)methylamino)propyl)methylamino)propyl)-
  • Liblomycin

Registry Numbers

CAS Registry Number

  • 88266-67-5

System Generated Number

  • 0088266675

Structure Descriptors

InChI

1S/C99H125N19O25S2/c1-54-77(113-90(116-88(54)102)65(40-75(101)122)108-41-64(100)89(103)128)94(132)115-79(85(66-42-105-53-109-66)141-98-87(83(126)81(124)73(45-119)140-98)142-97-84(127)86(143-99(104)134)82(125)74(46-120)139-97)95(133)110-56(3)80(123)55(2)91(129)114-78(57(4)121)93(131)107-34-32-76-111-68(52-144-76)96-112-67(51-145-96)92(130)106-33-18-35-117(5)36-19-37-118(43-62-28-30-69(135-47-58-20-10-6-11-21-58)71(38-62)137-49-60-24-14-8-15-25-60)44-63-29-31-70(136-48-59-22-12-7-13-23-59)72(39-63)138-50-61-26-16-9-17-27-61/h6-17,20-31,38-39,42,51-53,55-57,64-65,73-74,78-87,97-98,108,119-121,123-127H,18-19,32-37,40-41,43-50,100H2,1-5H3,(H2,101,122)(H2,103,128)(H2,104,134)(H,105,109)(H,106,130)(H,107,131)(H,110,133)(H,114,129)(H,115,132)(H2,102,113,116)/t55-,56+,57+,64-,65-,73-,74+,78-,79-,80-,81+,82+,83-,84-,85-,86-,87-,97+,98-/m0/s1

InChIKey

KYYQSAMPTLGNIQ-CIGKBZFWSA-N

Smiles

Cc1c(nc(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](c2cnc[nH]2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCCN(Cc7ccc(c(c7)OCc8ccccc8)OCc9ccccc9)Cc1ccc(c(c1)OCc1ccccc1)OCc1ccccc1)O