Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Bleomycin B4
RN: 9060-11-1
InChIKey: XRKOAIXTCFOKJS-UHFFFAOYSA-N

Molecular Formula

  • C60-H95-N23-O21-S2

Molecular Weight

  • 1538.68
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Bleomycin B4

Synonyms

  • CCRIS 1252
  • N1-(4-((Aminoiminomethyl)(4-((aminoiminomethyl)amino)butyl)amino)butyl)bleomycinamide

Systematic Names

  • Bleomycin B4
  • Bleomycinamide, N1-(4-((aminoiminomethyl)(4-((aminoiminomethyl)amino)butyl)amino)butyl)-

Registry Numbers

CAS Registry Number

  • 9060-11-1

System Generated Number

  • 0009060111

Structure Descriptors

InChI

1S/C60H95N23O21S2/c1-23-36(79-49(82-47(23)63)28(15-34(62)87)74-16-27(61)48(64)93)53(97)81-38(44(29-17-70-22-75-29)102-57-46(42(91)40(89)32(18-84)101-57)103-56-43(92)45(104-60(69)99)41(90)33(19-85)100-56)54(98)76-25(3)39(88)24(2)50(94)80-37(26(4)86)52(96)72-12-9-35-77-31(21-105-35)55-78-30(20-106-55)51(95)71-10-5-7-13-83(59(67)68)14-8-6-11-73-58(65)66/h17,20-22,24-28,32-33,37-46,56-57,74,84-86,88-92H,5-16,18-19,61H2,1-4H3,(H2,62,87)(H2,64,93)(H3,67,68)(H2,69,99)(H,70,75)(H,71,95)(H,72,96)(H,76,98)(H,80,94)(H,81,97)(H2,63,79,82)(H4,65,66,73)

InChIKey

XRKOAIXTCFOKJS-UHFFFAOYSA-N

Smiles

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