PEPLOMYCIN

PubChem Notes:

Peplomycin An antineoplastic agent derived from BLEOMYCIN.

Molecular Formula: C61H88N18O21S2


InChI: InChI=1/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)/t25u,26-,27u,28?,30?,31u,35-,36+,40?,41?,42?,43+,44+,45-,46-,47?,48-,49-,59+,60-/m0/s1/f/h69-70,72-73,77-78H,63-66H2

InChIKey: InChIKey=QIMGFXOHTOXMQP-ALGGWLRADB
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)NCCCNC(C)C7=CC=CC=C7)O

Names:
    Bleomycin PEP
    BRN 0782891
    CCRIS 2756
    EINECS 269-484-0
    N(sup 1)-(3-((1-Phenylethyl)amino)propyl)bleomycinamide
    Pepleomycin
    Peplomycina [INN-Spanish]
    Peplomycine [INN-French]
    Peplomycinum [INN-Latin]
    PEPLOMYCIN
    [(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5S,6S)-2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydroxy-1-[2-[4-[4-[3-[[(1S)-1-phenylethyl]amino]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 50112
    PubChem ID 188638