Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Methylsulfonamido-bleomycin A2
RN: 70476-13-0
InChIKey: KFCKSIJGYQOIMF-UHFFFAOYSA-O

Molecular Formula

  • C56-H86-N17-O23-S4

Molecular Weight

  • 1493.66
 
* 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

  • Methylsulfonamido-bleomycin A2

Synonym

  • N1-(3-(Dimethylsulfonio)propyl)-N38-(methylsulfonyl)bleomycinamide

Systematic Name

  • Bleomycinamide, N1-(3-(dimethylsulfonio)propyl)-N38-(methylsulfonyl)-

Registry Numbers

CAS Registry Number

  • 70476-13-0

System Generated Number

  • 0070476130

Structure Descriptors

InChI

1S/C56H85N17O23S4/c1-21-33(69-48(72-46(21)58)25(13-31(57)77)64-15-27(47(59)83)73-100(7,90)91)52(87)71-35(42(26-14-61-19-65-26)94-55-44(40(81)38(79)29(16-74)93-55)95-54-41(82)43(96-56(60)89)39(80)30(17-75)92-54)53(88)67-23(3)37(78)22(2)49(84)70-34(24(4)76)50(85)63-11-9-32-68-28(18-97-32)45-36(66-20-98-45)51(86)62-10-8-12-99(5)6/h14,18-20,22-25,27,29-30,34-35,37-44,54-55,64,73-76,78-82H,8-13,15-17H2,1-7H3,(H13-,57,58,59,60,61,62,63,65,67,69,70,71,72,77,83,84,85,86,87,88,89)/p+1

InChIKey

KFCKSIJGYQOIMF-UHFFFAOYSA-O

Smiles

c1(c(c(nc(n1)[C@@H](NC[C@@H](C(N)=O)NS(C)(=O)=O)CC(N)=O)N)C)C(N[C@@H](C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc1nc(c2c(ncs2)C(NCCC[S+](C)C)=O)cs1)=O)[C@@H](O)C)=O)C)O)C)=O)[C@@H](c1[nH]cnc1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](OC(N)=O)[C@@H]1O)O)O)CO)=O