BLEOMYCIN FRACTION BLM-CPP

Molecular Formula: C58H85N17O21S2


InChI: InChI=1/C58H85N17O21S2/c1-22-36(71-49(74-47(22)60)31-14-35(79)75(31)16-27(59)48(61)85)53(89)73-38(44(28-15-63-21-67-28)94-57-46(42(83)40(81)32(17-76)93-57)95-56-43(84)45(96-58(62)91)41(82)33(18-77)92-56)54(90)68-24(3)39(80)23(2)50(86)72-37(25(4)78)52(88)66-13-10-34-69-30(20-97-34)55-70-29(19-98-55)51(87)65-12-7-11-64-26-8-5-6-9-26/h15,19-21,23-27,31-33,37-46,56-57,64,76-78,80-84H,5-14,16-18,59H2,1-4H3,(H2,61,85)(H2,62,91)(H,63,67)(H,65,87)(H,66,88)(H,68,90)(H,72,86)(H,73,89)(H2,60,71,74)/t23-,24+,25+,27-,31u,32u,33u,37-,38-,39-,40?,41?,42?,43?,44-,45?,46?,56?,57?/m0/s1/f/h65-68,72-73H,60-62H2

InChIKey: InChIKey=REMGMESQVARDMB-CTPSMFRVDQ
SMILES: CC1=C(N=C(N=C1N)C2CC(=O)N2CC(C(=O)N)N)C(=O)NC(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC6=NC(=CS6)C7=NC(=CS7)C(=O)NCCCNC8CCCC8)O

Names:
    BLEOMYCIN FRACTION BLM-CPP
    NSC150861
    [2-[2-[(1R,2S)-2-[[6-amino-2-[1-[(2S)-2-amino-2-carbamoyl-ethyl]-4-oxo-azetidin-2-yl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[(2R,3S,4S)-4-[[(1S,2R)-1-[2-[4-[4-[3-(cyclopentylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylcarbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-pentan-2-yl]carbamoyl]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate

Registries:
    PubChem CID 5458320
    PubChem ID 8140332