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Substance Name: Epibleomycin
RN: 62624-78-6
InChIKey: NRURSPFITWGNRU-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C55-H84-N20-O21-S2

Molecular Weight

  • 1425.52
 
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Names and Synonyms

Results Name

  • Epibleomycin

Synonyms

  • BRN 0973538
  • Epibleomycin

Systematic Name

  • Bleomycinamide, N(sup 1)-(4-((aminoiminomethyl)amino)butyl)-, (33R)-

Registry Numbers

CAS Registry Number

  • 62624-78-6

System Generated Number

  • 0062624786

Structure Descriptors

InChI

1S/C55H84N20O21S2/c1-19-31(72-46(75-44(19)58)24(11-29(57)79)67-12-23(56)45(59)85)50(89)74-33(40(25-13-63-17-68-25)94-53-42(38(83)36(81)27(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)28(15-77)92-52)51(90)70-21(3)35(80)20(2)47(86)73-32(22(4)78)48(87)65-10-7-30-71-26(16-97-30)43-34(69-18-98-43)49(88)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,27-28,32-33,35-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,88)(H,65,87)(H,70,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)

InChIKey

NRURSPFITWGNRU-UHFFFAOYSA-N

Smiles

c1(c(c(nc(n1)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)N)C)C(N[C@@H](C(N[C@@H]([C@@H]([C@@H](C(N[C@@H]([C@@H](C)O)C(=O)NCCc1nc(c2c(ncs2)C(NCCCCNC(N)=N)=O)cs1)=O)C)O)C)=O)[C@@H](c1[nH]cnc1)O[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](CO)O1)O)O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]([C@@H]1O)OC(N)=O)=O