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Substance Name: Decarbamoylbelomycin A2
RN: 106064-23-7
InChIKey: XYWNQDMLYVKCTH-UHFFFAOYSA-O

Molecular Formula

  • C54-H83-N16-O20-S3

Molecular Weight

  • 1372.54
 
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Names and Synonyms

Results Name

  • Decarbamoylbelomycin A2

Synonym

  • 3B-O-de(Aminocarbonyl)-N1-(3-(dimethylsulfonio)propyl)bleomycinamide

Systematic Name

  • Bleomycinamide, 3B-O-de(aminocarbonyl)-N1-(3-(dimethylsulfonio)propyl)-

Registry Numbers

CAS Registry Number

  • 106064-23-7

System Generated Number

  • 0106064237

Structure Descriptors

InChI

1S/C54H82N16O20S3/c1-20-33(67-46(70-44(20)57)25(12-31(56)74)62-13-24(55)45(58)81)49(84)69-35(42(26-14-59-19-64-26)89-54-43(40(79)38(77)29(17-72)88-54)90-53-41(80)39(78)37(76)28(16-71)87-53)50(85)65-22(3)36(75)21(2)47(82)68-34(23(4)73)48(83)61-10-8-32-66-27(18-91-32)30-15-63-52(92-30)51(86)60-9-7-11-93(5)6/h14-15,18-19,21-25,28-29,34-43,53-54,62,71-73,75-80H,7-13,16-17,55H2,1-6H3,(H11-,56,57,58,59,60,61,64,65,67,68,69,70,74,81,82,83,84,85,86)/p+1

InChIKey

XYWNQDMLYVKCTH-UHFFFAOYSA-O

Smiles

C[S+](CCCNC(=O)c1sc(cn1)c1nc(sc1)CCNC([C@@H]([C@@H](C)O)NC([C@@H]([C@@H]([C@@H](NC([C@@H]([C@@H](c1[nH]cnc1)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)O)NC(c1c(c(nc(n1)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)N)C)=O)=O)C)O)C)=O)=O)C