Bleomycin

[An antibiotic which came from the bacteria streptomyces verticellus and is used to treat a variety of cancers, including hodgkins disease and cancers of the testicles.

InChI: InChI=1/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1

InChIKey: InChIKey=OYVAGSVQBOHSSS-BCDHVUPABF
SMILES: [H][C@](C)(O)[C@]([H])(NC(=O)[C@@H](C)[C@H](O)[C@@]([H])(C)NC(=O)[C@@]([H])(NC(=O)C1=NC(=NC(N)=C1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O)[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(N)=O)[C@@H]3O)C4=CNC=N4)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C

CAS number 11056-06-7

Names:
    Bleomycin
    Bleomycin A2
    Bleomycin
    bleomycin A2
    Bleomycin A2
    bleomycin A2
    N1-[3-(dimethylsulfonio)propyl]bleomycinamide

Registries:
    PubChem CID 5360373
    Beilstein =4379083
    CAS 11056-06-7 (from NIST)
    CAS 11116-31-7 (from NIST)
    ChEBI 3139
    Gmelin 1667354
    Kegg C06854
    PubChem ID 9072