3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]1,3-thiazole-4-carbonyl]amino]propyl-(carbamoylmethyl)-methyl-sulfanium




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Molecular Formula: C56H85N18O22S3+


InChI: InChI=1/C56H84N18O22S3/c1-20-34(71-47(74-45(20)60)25(11-31(58)78)66-12-24(57)46(61)85)51(89)73-36(42(26-13-63-19-67-26)94-55-44(40(83)38(81)29(14-75)93-55)95-54-41(84)43(96-56(62)91)39(82)30(15-76)92-54)52(90)68-22(3)37(80)21(2)48(86)72-35(23(4)77)50(88)65-9-7-33-69-28(17-97-33)53-70-27(16-98-53)49(87)64-8-6-10-99(5)18-32(59)79/h13,16-17,19,21-25,29-30,35-44,54-55,66,75-77,80-84H,6-12,14-15,18,57H2,1-5H3,(H15-,58,59,60,61,62,63,64,65,67,68,71,72,73,74,78,79,85,86,87,88,89,90,91)/p+1/fC56H85N18O22S3/h64-65,67-68,72-73H,58-62H2/q+1

InChIKey: InChIKey=HCZMXBXNIYGRHO-JMUIHDAICM
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)NCCC[S+](C)CC(=O)N)O

Names:
    3-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl-ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3H-imidazol-4-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]1,3-thiazole-4-carbonyl]amino]propyl-(carbamoylmethyl)-methyl-sulfanium

Registries:
    ChemSpider: InChIKey=HCZMXBXNIYGRHO-JMUIHDAICM
    PubChem CID 435334
    PubChem ID 4781631


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