Tallysomycin A




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Molecular Formula: C68H110N22O27S2


InChI: InChI=1/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)/t26u,27?,28-,29?,30?,31u,35?,36-,37+,41+,43?,44?,45+,46+,47+,48-,49+,50-,51?,52?,53-,54-,62?,65-,66+,67+/m0/s1/f/h79-80,82-83,86,88,90H,72,74-76H2

InChIKey: InChIKey=VUPBDWQPEOWRQP-IECKSEAJDA
SMILES: CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)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

Names:
    Antibiotic BU 2231A
    BU 2231A
    Talisomycina [INN-Spanish]
    Talisomycine [INN-French]
    Talisomycinum [INN-Latin]
    Talisomycin A
    Talisomycin [USAN:INN]
    Talisomycin
    Tallysomycin A
    65057-90-1
    [(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[2-[[4-[[1-[[2-[4-[4-[[4-amino-5-[3-(4-aminobutylamino)propylcarbamoyl]pentyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-[(2S,3R,4R,5S,6S)-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]-2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-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:
    ChemSpider: InChIKey=VUPBDWQPEOWRQP-IECKSEAJDA
    PubChem CID 72173
    PubChem ID 214437


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