BLEOMYCIN A5 - SULFATE

Molecular Formula: C₆₁H₈₉N₁₉O₂₁S₂

InChI: InChI=1/C61H89N19O21S2/c1-25-39(77-52(80-50(25)64)31(17-37(63)84)72-18-30(62)51(65)90)56(94)79-41(47(32-19-68-24-73-32)99-60-49(45(88)43(86)35(20-81)98-60)100-59-46(89)48(101-61(66)96)44(87)36(21-82)97-59)57(95)74-27(3)42(85)26(2)53(91)78-40(28(4)83)55(93)71-16-11-38-75-34(23-102-38)58-76-33(22-103-58)54(92)70-15-8-13-67-12-7-10-29-9-5-6-14-69-29/h5-6,9,14,19,22-24,26-28,30-31,35-36,40-49,59-60,67,72,81-83,85-89H,7-8,10-13,15-18,20-21,62H2,1-4H3,(H2,63,84)(H2,65,90)(H2,66,96)(H,68,73)(H,70,92)(H,71,93)(H,74,95)(H,78,91)(H,79,94)(H2,64,77,80)/t26-,27+,28+,30-,31-,35u,36u,40-,41-,42-,43?,44?,45?,46?,47-,48?,49?,59?,60?/m0/s1/f/h70-71,73-74,78-79H,63-66H2

InChIKey: InChIKey=VUDHDIVFWPGZDL-FIVZXXFIDW
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)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCC7=CC=CC=N7)O

Names:
    BLEOMYCIN A5 - SULFATE
    NSC149501
    11116-32-8
    [2-[2-[(1R,2S)-2-[[6-amino-2-[(1S)-1-[[(2S)-2-amino-2-carbamoyl-ethyl]amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[(2R,3S,4S)-3-hydroxy-4-[[(1S,2R)-2-hydroxy-1-[2-[4-[4-[3-(3-pyridin-2-ylpropylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]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 5458314
    PubChem ID 8140315