Liblomycin

CAS Registry Number®

88266-67-5
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CAS Name

Liblomycin

Molecular Formula

C99H125N19O25S2

Molecular Mass

2045.29

Cite this Page

Liblomycin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=88266-67-5 (retrieved 2024-04-26) (CAS RN: 88266-67-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=KYYQSAMPTLGNIQ-CIGKBZFWSA-N

SMILES

[C@H]([C@H](NC(=O)C1=NC([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCC2=NC(=CS2)C3=NC(C(NCCCN(CCCN(CC4=CC(OCC5=CC=CC=C5)=C(OCC6=CC=CC=C6)C=C4)CC7=CC(OCC8=CC=CC=C8)=C(OCC9=CC=CC=C9)C=C7)C)=O)=CS3)=O)[C@@H](C)O)=O)C)O)C)=O)(O[C@H]%10[C@@H](O[C@@H]%11[C@@H](O)[C@@H](OC(N)=O)[C@H](O)[C@@H](CO)O%11)[C@@H](O)[C@H](O)[C@H](CO)O%10)C%12=CN=CN%12

Canonical SMILES

O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C=4N=C(N=C(N)C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCN(C)CCCN(CC7=CC=C(OCC=8C=CC=CC8)C(OCC=9C=CC=CC9)=C7)CC%10=CC=C(OCC=%11C=CC=CC%11)C(OCC=%12C=CC=CC%12)=C%10)C(O)C)C)OC(CO)C(O)C2O)N

Other Names for this Substance

  • Bleomycinamide, N1-[3-[[3-[bis[[3,4-bis(phenylmethoxy)phenyl]methyl]amino]propyl]methylamino]propyl]-
  • N1-[3-[[3-[Bis[[3,4-bis(phenylmethoxy)phenyl]methyl]amino]propyl]methylamino]propyl]bleomycinamide
  • Liblomycin
  • NK 313

CAS INSIGHTSTM
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