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Substance Name: Deamido bleomycin A2
RN: 65154-36-1
InChIKey: LEWBSQHVMFJVKL-FSFWWQNWSA-O

Molecular Formula

  • C55-H83-N16-O22-S3

Molecular Weight

  • 1416.55
 
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Names and Synonyms

  • Deamido bleomycin A2

Registry Numbers

CAS Registry Number

  • 65154-36-1

System Generated Number

  • 0065154361

Structure Descriptors

InChI

1S/C55H82N16O22S3/c1-20-33(68-45(71-44(20)58)25(12-31(57)75)63-13-24(56)52(86)87)49(84)70-35(41(26-14-60-19-64-26)91-54-43(39(79)37(77)29(15-72)90-54)92-53-40(80)42(93-55(59)88)38(78)30(16-73)89-53)50(85)65-22(3)36(76)21(2)46(81)69-34(23(4)74)48(83)62-10-8-32-66-28(18-94-32)51-67-27(17-95-51)47(82)61-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,63,72-74,76-80H,7-13,15-16,56H2,1-6H3,(H12-,57,58,59,60,61,62,64,65,68,69,70,71,75,81,82,83,84,85,86,87,88)/p+1/t21-,22?,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54?/m0/s1

InChIKey

LEWBSQHVMFJVKL-FSFWWQNWSA-O

Smiles

O1[C@@H]([C@H]([C@@H]([C@@H]([C@H]1O[C@@H]1[C@@H](O[C@@H](CO)[C@H]([C@@H]1O)O)O[C@H]([C@H](NC(c1c(C)c(N)nc([C@@H](NC[C@@H](C(O)=O)N)CC(N)=O)n1)=O)C(=O)N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCc1nc(cs1)c1scc(n1)C(NCCC[S+](C)C)=O)=O)[C@H](O)C)=O)C)O)C)c1[nH]cnc1)O)OC(N)=O)O)CO