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Substance Name: Bleomycin-pyp
RN: 61949-96-0
InChIKey: UAGBVOMVWIAELJ-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C60-H87-N19-O21-S2

Molecular Weight

  • 1474.59
 
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Names and Synonyms

Results Name

  • Bleomycin-pyp

Synonym

  • Bleomycin-pyp

Systematic Name

  • Bleomycinamide, N(sup 1)-(3-((2-(2-pyridyl)ethyl)amino)propyl)-

Registry Numbers

CAS Registry Number

  • 61949-96-0

System Generated Number

  • 0061949960

Structure Descriptors

InChI

1S/C60H87N19O21S2/c1-24-38(76-51(79-49(24)63)30(16-36(62)83)71-17-29(61)50(64)89)55(93)78-40(46(31-18-67-23-72-31)98-59-48(44(87)42(85)34(19-80)97-59)99-58-45(88)47(100-60(65)95)43(86)35(20-81)96-58)56(94)73-26(3)41(84)25(2)52(90)77-39(27(4)82)54(92)70-15-10-37-74-33(22-101-37)57-75-32(21-102-57)53(91)69-13-7-11-66-14-9-28-8-5-6-12-68-28/h5-6,8,12,18,21-23,25-27,29-30,34-35,39-48,58-59,66,71,80-82,84-88H,7,9-11,13-17,19-20,61H2,1-4H3,(H2,62,83)(H2,64,89)(H2,65,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,63,76,79)

InChIKey

UAGBVOMVWIAELJ-UHFFFAOYSA-N

Smiles

O1[C@@H]([C@@H]([C@@H]([C@@H]([C@@H]1CO)O)OC(N)=O)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(NCCCNCCc1ncccc1)=O)=O)[C@@H](C)O)=O)C)O)C)=O)NC(c1nc(nc(c1C)N)[C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)=O)c1[nH]cnc1