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Substance Name: Bleomycinic acid
RN: 37364-66-2
InChIKey: MRNLLBXPSWMYCK-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C50-H72-N16-O22-S2

Molecular Weight

  • 1313.34
 
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Names and Synonyms

Name of Substance

  • Bleomycinic acid

Synonyms

  • Bleomycin acid
  • BRN 0605247
  • CCRIS 1269

Systematic Names

  • Bleomycin acid
  • Bleomycinic acid

Registry Numbers

CAS Registry Number

  • 37364-66-2

System Generated Number

  • 0037364662

Structure Descriptors

InChI

1S/C50H72N16O22S2/c1-15-28(63-41(66-39(15)53)20(7-26(52)70)58-8-19(51)40(54)76)44(79)65-30(36(21-9-56-14-59-21)86-49-38(34(74)32(72)24(10-67)85-49)87-48-35(75)37(88-50(55)83)33(73)25(11-68)84-48)45(80)60-17(3)31(71)16(2)42(77)64-29(18(4)69)43(78)57-6-5-27-61-22(12-89-27)46-62-23(13-90-46)47(81)82/h9,12-14,16-20,24-25,29-38,48-49,58,67-69,71-75H,5-8,10-11,51H2,1-4H3,(H2,52,70)(H2,54,76)(H2,55,83)(H,56,59)(H,57,78)(H,60,80)(H,64,77)(H,65,79)(H,81,82)(H2,53,63,66)

InChIKey

MRNLLBXPSWMYCK-UHFFFAOYSA-N

Smiles

c1([C@@H](CC(=O)N)NC[C@@H](N)C(=O)N)nc(C(N[C@@H]([C@@H](O[C@@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@@H]2O)OC(N)=O)O)CO)c2[nH]cnc2)C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc2scc(n2)c2scc(n2)C(O)=O)=O)[C@@H](C)O)=O)C)O)C)=O)=O)c(c(n1)N)C