TALLYSOMYCIN S10B

Molecular Formula: C₅₉H₉₅Cl₄N₁₉O₂₆S₂

InChI: InChI=1/C59H91N19O26S2.4ClH/c1-18-33(75-48(77-46(18)64)23(9-30(62)83)69-11-22(61)47(65)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(66)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(63)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-5-7-60;;;;/h12,15-17,19-23,27-29,32,34-45,53,56-58,69,79-82,85-91H,5-11,13-14,60-61,63H2,1-4H3,(H2,62,83)(H2,65,92)(H2,66,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,64,75,77);4*1H/t19-,20-,21u,22+,23+,27+,28u,29u,32?,34+,35+,36?,37?,38?,39?,40?,41?,42?,43+,44?,45?,53?,56?,57?,58?;;;;/m1..../s1/f/h68,70-71,74,76,78H,62,64-66H2;;;;

InChIKey: InChIKey=RKUUPLUISZAJNH-MQYRGDAVDQ
SMILES: CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCCN)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N.Cl.Cl.Cl.Cl

Names:
    NSC304426
    TALLYSOMYCIN S10B
    76069-32-4
    [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)-4-[[(1S,2R)-1-[[2-[4-[4-(4-aminobutylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyl-oxan-2-yl)oxy-2-hydroxy-ethyl]carbamoyl]-2-hydroxy-propyl]carbamoyl]-3-hydroxy-butan-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 tetrahydrochloride

Registries:
    PubChem CID 5458651
    PubChem ID 8141052