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Substance Name: Dansylsulfonamido-bleomycin A2
RN: 70577-43-4
InChIKey: MXONIQQSRZTMNM-UHFFFAOYSA-O

Molecular Formula

  • C67-H95-N18-O23-S4

Molecular Weight

  • 1648.85
 
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Names and Synonyms

Results Name

  • Dansylsulfonamido-bleomycin A2

Synonym

  • N38-((5-(Dimethylamino)-1-naphthalenyl)sulfonyl)-N1-(3-(dimethylsulfonio)propyl)bleomycinamide

Systematic Name

  • Bleomycinamide, N38-((5-(dimethylamino)-1-naphthalenyl)sulfonyl)-N1-(3-(dimethylsulfonio)propyl)-

Registry Numbers

CAS Registry Number

  • 70577-43-4

System Generated Number

  • 0070577434

Structure Descriptors

InChI

1S/C67H94N18O23S4/c1-28-44(80-59(83-57(28)69)35(20-42(68)89)75-22-37(58(70)95)84-112(102,103)41-12-9-11-32-19-33(85(5)6)13-14-34(32)41)63(99)82-46(53(36-21-72-26-76-36)106-66-55(51(93)49(91)39(23-86)105-66)107-65-52(94)54(108-67(71)101)50(92)40(24-87)104-65)64(100)78-30(3)48(90)29(2)60(96)81-45(31(4)88)61(97)74-17-15-43-79-38(25-109-43)56-47(77-27-110-56)62(98)73-16-10-18-111(7)8/h9,11-14,19,21,25-27,29-31,35,37,39-40,45-46,48-55,65-66,75,84,86-88,90-94H,10,15-18,20,22-24H2,1-8H3,(H13-,68,69,70,71,72,73,74,76,78,80,81,82,83,89,95,96,97,98,99,100,101)/p+1

InChIKey

MXONIQQSRZTMNM-UHFFFAOYSA-O

Smiles

c1(S(N[C@@H](CN[C@@H](c2nc(c(C)c(n2)C(N[C@@H](C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc2scc(c3c(ncs3)C(NCCC[S+](C)C)=O)n2)=O)[C@@H](O)C)=O)C)O)C)=O)[C@@H](c2[nH]cnc2)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]2O)O)O)CO)=O)N)CC(N)=O)C(N)=O)(=O)=O)c2c(ccc1)cc(cc2)N(C)C