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Substance Name: Bleomycin-A5033
RN: 58071-33-3
InChIKey: LJSIRZGJYWROJP-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C60-H91-N19-O24-S2

Molecular Weight

  • 1526.62
 
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Names and Synonyms

Results Name

  • Bleomycin-A5033

Synonyms

  • A 5033
  • Antibiotic A 5033
  • Bleomycin-A5033

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-((3-((3-carboxy-1-oxopropyl)amino)propyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 58071-33-3

System Generated Number

  • 0058071333

Structure Descriptors

InChI

1S/C60H91N19O24S2/c1-23-38(76-51(79-49(23)63)28(15-34(62)83)71-16-27(61)50(64)92)55(96)78-40(46(29-17-67-22-72-29)101-59-48(44(90)42(88)32(18-80)100-59)102-58-45(91)47(103-60(65)98)43(89)33(19-81)99-58)56(97)73-25(3)41(87)24(2)52(93)77-39(26(4)82)54(95)70-14-9-36-74-31(21-104-36)57-75-30(20-105-57)53(94)69-13-6-11-66-10-5-12-68-35(84)7-8-37(85)86/h17,20-22,24-28,32-33,39-48,58-59,66,71,80-82,87-91H,5-16,18-19,61H2,1-4H3,(H2,62,83)(H2,64,92)(H2,65,98)(H,67,72)(H,68,84)(H,69,94)(H,70,95)(H,73,97)(H,77,93)(H,78,96)(H,85,86)(H2,63,76,79)

InChIKey

LJSIRZGJYWROJP-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H](O)[C@@H]([C@@H]([C@@H]1CO)O)OC(N)=O)O[C@@H]1[C@@H](O[C@@H](CO)[C@@H]([C@@H]1O)O)O[C@@H]([C@@H](C(N[C@@H]([C@@H]([C@@H](C(N[C@@H](C(NCCc1nc(cs1)c1nc(cs1)C(NCCCNCCCNC(CCC(O)=O)=O)=O)=O)[C@@H](C)O)=O)C)O)C)=O)NC(c1nc([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)nc(N)c1C)=O)c1cnc[nH]1