Phleomycin

Phleomycins Water-soluble, copper-containing low molecular weight polypeptides obtained from the culture medium of Streptomyces verticillus. They are specific inhibitors of DNA synthesis in bacteria and have been found to act as antitumor agents. They have also been used against rust fungi of plants.

Molecular Formula: C₅₁H₇₅N₁₇O₂₁S₂

InChI: InChI=1/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17u,18u,20?,21u,24u,25-,26u,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1/f/h59,61-62,66-67H,53-57H2

InChIKey: InChIKey=QRBLKGHRWFGINE-JBZGWTOKDT
SMILES: CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)(C)OC4C(C(C(C(O4)CO)O)(C(=O)N)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(=O)C)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)N)O

Names:
    NSC 61586
    NSC 616586
    Phleomycin complex
    Phleomycin
    11006-33-0
    6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl-ethyl]-N-[1-[[4-[[1-[2-[4-(4-carbamoyl-1,3-thiazol-2-yl)-4,5-dihydro-1,3-thiazol-2-yl]ethylcarbamoyl]-2-oxo-propyl]carbamoyl]-3-hydroxy-pentan-2-yl]carbamoyl]-2-[(2S,3S,4S,5S,6S)-3-[(2S,3S,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyl-oxan-2-yl]oxy-2-(3H-imidazol-4-yl)ethyl]-5-methyl-pyrimidine-4-carboxamide

Registries:
    PubChem CID 72511
    PubChem ID 214776