3-[[5-[2-[2-[[2-[[4-[[3-[3-[4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[3-azanyl-1-[[3-azanyl-2-(methylsulfonylamino)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methyl-3-oxidanyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium

Systemtic Name: 3-[[5-[2-[2-[[2-[[4-[[3-[3-[4-aminocarbonyloxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-[[6-azanyl-2-[3-azanyl-1-[[3-azanyl-2-(methylsulfonylamino)-3-oxidanylidene-propyl]amino]-3-oxidanylidene-propyl]-5-methyl-pyrimidin-4-yl]carbonylamino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methyl-3-oxidanyl-pentanoyl]amino]-3-oxidanyl-butanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazol-4-yl]carbonylamino]propyl-dimethyl-sulfanium Openeye Name: 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxo-propyl]amino]-3-oxo-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium CAS Name: 3-[[[5-[2-[2-[[2-[[4-[[2-[[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-oxomethyl]amino]-3-[[3-[[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-(1H-imidazol-5-yl)-1-oxopropyl]amino]-3-hydroxy-2-methyl-1-oxopentyl]amino]-3-hydroxy-1-oxobutyl]amino]ethyl]-4-thiazolyl]-4-thiazolyl]-oxomethyl]amino]propyl-dimethylsulfonium IUPAC Name: 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-2-(methanesulfonamido)-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-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-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium Traditional Name: 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[[3-amino-3-keto-2-(methanesulfonamido)propyl]amino]-3-keto-propyl]-5-methyl-pyrimidine-4-carbonyl]amino]-3-[3-(4-carbamoyloxy-3,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]ethyl]thiazol-4-yl]thiazole-4-carbonyl]amino]propyl-dimethyl-sulfonium Formula: C56H86N17O23S4+ MolecularWeight: 1493.64214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)NS(=O)(=O)C)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=C(N=CS6)C(=O)NCCC[S+](C)C)O

Isomeric SMILES

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)NS(=O)(=O)C)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=C(N=CS6)C(=O)NCCC[S+](C)C)O

InChI

InChI=1S/C56H85N17O23S4/c1-21-33(69-48(72-46(21)58)25(13-31(57)77)64-15-27(47(59)83)73-100(7,90)91)52(87)71-35(42(26-14-61-19-65-26)94-55-44(40(81)38(79)29(16-74)93-55)95-54-41(82)43(96-56(60)89)39(80)30(17-75)92-54)53(88)67-23(3)37(78)22(2)49(84)70-34(24(4)76)50(85)63-11-9-32-68-28(18-97-32)45-36(66-20-98-45)51(86)62-10-8-12-99(5)6/h14,18-20,22-25,27,29-30,34-35,37-44,54-55,64,73-76,78-82H,8-13,15-17H2,1-7H3,(H13-,57,58,59,60,61,62,63,65,67,69,70,71,72,77,83,84,85,86,87,88,89)/p+1