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Substance Name: Depyruvamide bleomycin
RN: 71716-64-8
InChIKey: LEVIRQUCOGTXNN-UHFFFAOYSA-O

Molecular Formula

  • C52-H78-N15-O20-S3

Molecular Weight

  • 1329.4712
 
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Names and Synonyms

Name of Substance

  • Depyruvamide bleomycin

Synonym

  • 36-De(2,3-diamino-3-oxopropyl)-N1-(3-(dimethylsulfonio)propyl)bleomycinamide

Systematic Name

  • Bleomycinamide, 36-de(2,3-diamino-3-oxopropyl)-N(1)-(3-(dimethylsulfonio)propyl)-

Registry Numbers

CAS Registry Number

  • 71716-64-8

System Generated Number

  • 0071716648

Structure Descriptors

InChI

1S/C52H77N15O20S3/c1-19-31(64-43(67-42(19)55)23(53)12-29(54)71)47(80)66-33(39(24-13-57-18-60-24)85-51-41(37(75)35(73)27(14-68)84-51)86-50-38(76)40(87-52(56)82)36(74)28(15-69)83-50)48(81)61-21(3)34(72)20(2)44(77)65-32(22(4)70)46(79)59-10-8-30-62-26(17-88-30)49-63-25(16-89-49)45(78)58-9-7-11-90(5)6/h13,16-18,20-23,27-28,32-41,50-51,68-70,72-76H,7-12,14-15,53H2,1-6H3,(H11-,54,55,56,57,58,59,60,61,64,65,66,67,71,77,78,79,80,81,82)/p+1

InChIKey

LEVIRQUCOGTXNN-UHFFFAOYSA-O

Smiles

Cc1c(nc(nc1N)C(CC(=O)N)N)C(=O)NC(C(c2cnc[nH]2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCC[S+](C)C)O