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Substance Name: Cobalt(2+) bleomycin complex (superoxido)
RN: 71900-77-1
InChIKey: NJKYAXUIXHRURT-UHFFFAOYSA-N

Molecular Formula

  • C55-H83-Co-N17-O23-S3

Molecular Weight

  • 1505.49
 
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Names and Synonyms

Results Name

  • Cobalt(2+) bleomycin complex (superoxido)

Synonym

  • Cobalt(2+) bleomycin complex (superoxido)

Systematic Name

  • Cobalt(2+), (N1-(3-(dimethylsulfonio)propyl)bleomycinamidato-N25,N32,N36,N38,N46)superoxido-

Registry Numbers

CAS Registry Number

  • 71900-77-1

System Generated Number

  • 0071900771

Structure Descriptors

InChI

1S/C55H83N17O21S3.Co.O2/c1-20-32(69-47(72-45(20)58)25(12-30(57)76)64-13-24(56)46(59)82)51(86)71-34(41(26-14-61-18-65-26)91-54-43(39(80)37(78)28(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)29(16-74)89-53)52(87)67-22(3)36(77)21(2)48(83)70-33(23(4)75)49(84)63-10-8-31-68-27(17-94-31)44-35(66-19-95-44)50(85)62-9-7-11-96(5)6;;1-2/h14,17-19,21-25,28-29,33-34,36-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,67,69,70,71,72,76,82,83,84,85,86,87,88);;/q;+3;-1

InChIKey

NJKYAXUIXHRURT-UHFFFAOYSA-N

Smiles

[O-]=O.[Co+3].[NH-](C(=O)c1nc([C@@H](CC(N)=O)NC[C@@H](C(N)=O)N)nc(N)c1C)[C@@H]([C@@H](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)c1nc[nH]c1)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H]([C@@H](C)O)C(=O)NCCc1nc(c2c(ncs2)C(NCCC[S+](C)C)=O)cs1)=O)C)O)C)=O