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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-[[6-(dimethylamino)naphthalen-1-yl]sulfonylamino]-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

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-[[6-(dimethylamino)naphthalen-1-yl]sulfonylamino]-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-[[6-(dimethylamino)naphthalen-1-yl]sulfonylamino]-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-[[6-(dimethylamino)-1-naphthyl]sulfonylamino]-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-[[6-(dimethylamino)-1-naphthalenyl]sulfonylamino]-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-[[6-(dimethylamino)naphthalen-1-yl]sulfonylamino]-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-2-[[6-(dimethylamino)-1-naphthyl]sulfonylamino]-3-keto-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: C67H95N18O23S4+
MolecularWeight: 1648.838
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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)C2=CC=CC3=C2C=CC(=C3)N(C)C)C(=O)NC(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC7=NC(=CS7)C8=C(N=CS8)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)C2=CC=CC3=C2C=CC(=C3)N(C)C)C(=O)NC(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC7=NC(=CS7)C8=C(N=CS8)C(=O)NCCC[S+](C)C)O


InChI

InChI=1S/C67H94N18O23S4/c1-28-44(80-59(83-57(28)69)35(20-42(68)89)75-22-37(58(70)95)84-112(102,103)41-12-9-11-32-19-33(85(5)6)13-14-34(32)41)63(99)82-46(53(36-21-72-26-76-36)106-66-55(51(93)49(91)39(23-86)105-66)107-65-52(94)54(108-67(71)101)50(92)40(24-87)104-65)64(100)78-30(3)48(90)29(2)60(96)81-45(31(4)88)61(97)74-17-15-43-79-38(25-109-43)56-47(77-27-110-56)62(98)73-16-10-18-111(7)8/h9,11-14,19,21,25-27,29-31,35,37,39-40,45-46,48-55,65-66,75,84,86-88,90-94H,10,15-18,20,22-24H2,1-8H3,(H13-,68,69,70,71,72,


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