Home > Product Catalog > All > Sulfonium, [3-[[[2′-[(5S,8S,9S,10R,13S)-15-[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-13-[(R)-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-[(aminocarbonyl)oxy]tetrahydro-3,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]-1H-imidazol-5-ylmethyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl]-4′,5′-dihydro[2,4′-bithiazol]-4-yl]carbonyl]amino]propyl]dimethyl-

Sulfonium, [3-[[[2′-[(5S,8S,9S,10R,13S)-15-[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-13-[(R)-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-[(aminocarbonyl)oxy]tetrahydro-3,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]-1H-imidazol-5-ylmethyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl]-4′,5′-dihydro[2,4′-bithiazol]-4-yl]carbonyl]amino]propyl]dimethyl-

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Catalog No. : NC29717

CAS No. : 52198-87-5

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Molecular Formula : C₅₅H₈₆N₁₇O₂₁S₃

Chemical Name : Sulfonium, [3-[[[2′-[(5S,8S,9S,10R,13S)-15-[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-13-[(R)-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-[(aminocarbonyl)oxy]tetrahydro-3,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]-1H-imidazol-5-ylmethyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl]-4′,5′-dihydro[2,4′-bithiazol]-4-yl]carbonyl]amino]propyl]dimethyl-

Molecular Weight : 1,417.57

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Basic information

Standard English name
Cas No.	52198-87-5
Alias	Sulfonium, [3-[[[2′-[(5S,8S,9S,10R,13S)-15-[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methyl-4-pyrimidinyl]-13-[(R)-[[(2R,3S,4S,5S,6S)-3-[[(2R,3S,4S,5R,6R)-4-[(aminocarbonyl)oxy]tetrahydro-3,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]tetrahydro-4,5-dihydroxy-6-(hydroxymethyl)-2H-pyran-2-yl]oxy]-1H-imidazol-5-ylmethyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl]-4′,5′-dihydro[2,4′-bithiazol]-4-yl]carbonyl]amino]propyl]dimethyl-
Canonical Smiles	CC1C(=NC(=NC=1N)C(CC(N)=O)NCC(N)C(N)=O)C(=O)NC(C(OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(OC(N)=O)C1O)C1=CN=CN1)C(=O)NC(C)C(O)C(C)C(=O)NC(C(C)O)C(=O)NCCC1=NC(CS1)C1=NC(=CS1)C(=O)NCCC[S+](C)C
MDL No.
Exact Mass	1,416.53463
Smiles	O=C(OC1C(O)C(OC(CO)C1O)OC2C(OC(C3=CN=CN3)C(NC(=O)C4=NC(=NC(N)=C4C)C(NCC(N)C(=O)N)CC(=O)N)C(=O)NC(C)C(O)C(C(=O)NC(C(=O)NCCC5=NC(C6=NC(=CS6)C(=O)NCCC[S+](C)C)CS5)C(O)C)C)OC(CO)C(O)C2O)N

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Feature
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Inchi	InChI=1S/C55H85N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17,19,21-25,28-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,18,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1
InchiKey	YIRRGAFSYZCZBP-UHFFFAOYSA-O
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