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Substance Name: Epibleomycin A2
RN: 62624-79-7
InChIKey: OYVAGSVQBOHSSS-UFRUFUSGSA-O

Molecular Formula

  • C55-H84-N17-O21-S3

Molecular Weight

  • 1415.56
 
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Names and Synonyms

Results Name

  • Epibleomycin A2

Synonym

  • Epibleomycin A2

Systematic Name

  • Bleomycinamide, N'-(3-(dimethylsulfonio)propyl)-, (33R)-

Registry Numbers

CAS Registry Number

  • 62624-79-7

System Generated Number

  • 0062624797

Structure Descriptors

InChI

1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25?,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1

InChIKey

OYVAGSVQBOHSSS-UFRUFUSGSA-O

Smiles

c1([nH]cnc1)[C@@H]([C@H](NC(c1c(C)c(N)nc([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)n1)=O)C(=O)N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCc1nc(cs1)c1scc(n1)C(NCCC[S+](C)C)=O)=O)[C@@H](C)O)=O)C)O)C)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)OC(N)=O)O)CO