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Substance Name: Bleomycin M5196
RN: 69227-45-8
UNII: RVR2EK66PE
InChIKey: XICZVSPUDPNBAU-FREGQCQZSA-N

Molecular Weight

  • 1598.2169
 
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Names and Synonyms

Name of Substance

  • Bleomycin M5196

Synonyms

  • CCRIS 1245
  • UNII-RVR2EK66PE

Systematic Name

  • Bleomycin M5196

Registry Numbers

CAS Registry Number

  • 69227-45-8

FDA UNII

  • RVR2EK66PE

System Generated Number

  • 0069227458

Structure Descriptors

InChI

1S/C65H101ClN20O21S2/c1-27-43(82-56(85-54(27)70)34(19-41(69)90)77-20-33(67)55(71)96)60(100)84-45(51(35-21-73-26-78-35)105-64-53(49(94)47(92)38(22-87)104-64)106-63-50(95)52(107-65(72)102)48(93)39(23-88)103-63)61(101)79-29(3)46(91)28(2)57(97)83-44(30(4)89)59(99)76-15-12-42-80-37(25-108-42)62-81-36(24-109-62)58(98)75-14-7-17-86(5)16-6-13-74-40(68)18-31-8-10-32(66)11-9-31/h21,24-26,28-34,38-39,44-53,63-64,77,87-89,91-95H,6-20,22-23,67H2,1-5H3,(H2,68,74)(H2,69,90)(H2,71,96)(H2,72,102)(H,73,78)(H,75,98)(H,76,99)(H,79,101)(H,83,97)(H,84,100)(H2,70,82,85)/t28-,29+,30+,31?,32?,33-,34-,38-,39+,44-,45-,46-,47+,48+,49-,50-,51-,52-,53-,63+,64-/m0/s1

InChIKey

XICZVSPUDPNBAU-FREGQCQZSA-N

Smiles

C[C@@H](O)[C@H](NC(=O)[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc(nc(N)c1C)[C@H](CC(=O)N)NC[C@H](N)C(=O)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@H](OC(=O)N)[C@@H]3O)c4cnc[nH]4)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCN(C)CCCNC(=N)CC7CCC(Cl)CC7