Chem
J-GLOBAL ID：201007088276479020   Nikkaji number：J2.864.739E

N-[1-[1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-ylamino]-3-(1H-imidazole-4-yl)-1-oxopropane-2-yl]-2-[1-O,4-[(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-ylthio]acetamide

3-(1H-イミダゾール-4-イル)-N-{[36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}-2-[2-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}スルファニル)アセトアミド]プロパンアミド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C92H148N4O70S
Molecular formula furigana： C92-H148-N4-O70-S
Molecular weight： 2462.210
InChI： InChI=1S/C92H148N4O70S/c97-4-22-65-38(112)52(126)81(141-22)156-67-24(6-99)143-83(54(128)40(67)114)158-69-26(8-101)145-85(56(130)42(69)116)159-70-27(9-102)144-84(55(129)41(70)115)157-68-25(7-100)142-82(53(127)39(68)113)155-66-23(5-98)140-80(51(125)37(66)111)153-64-21(139-79(154-65)50(124)36(64)110)3-94-78(138)20(1-19-2-93-18-95-19)96-35(109)17-167-16-34-77-49(123)63(137)92(152-34)165-76-33(15-108)150-90(61(135)47(76)121)163-74-31(13-106)148-88(59(133)45(74)119)161-72-29(11-104)146-86(57(131)43(72)117)160-71-28(10-103)147-87(58(132)44(71)118)162-73-30(12-105)149-89(60(134)46(73)120)164-75-32(14-107)151-91(166-77)62(136)48(75)122/h2,18,20-34,36-77,79-92,97-108,110-137H,1,3-17H2,(H,93,95)(H,94,138)(H,96,109)
InChI key： PCYONPJBELTSRD-UHFFFAOYSA-N
SMILES： OCC1OC2OC3C(CO)OC(OC4C(CO)OC(OC5C(CO)OC(OC6C(CNC(=O)C(Cc7c[nH]cn7)NC(=O)CSCC7OC8OC9C(CO)OC(OC%10C(CO)OC(OC%11C(CO)OC(OC%12C(CO)OC(OC%13C(CO)OC(OC%14C(CO)OC(OC7C(O)C8O)C(O)C%14O)C(O)C%13O)C(O)C%12O)C(O)C%11O)C(O)C%10O)C(O)C9O)OC(OC7C(CO)OC(OC8C(CO)OC(OC1C(O)C2O)C(O)C8O)C(O)C7O)C(O)C6O)C(O)C5O)C(O)C4O)C(O)C3O
Systematic name  (3)：
  • N-[1-[1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4,6-ジデオキシ-α-D-グルコピラノース-6-イルアミノ]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]-2-[1-O,4-[(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)(4-デオキシ-α-D-グルコピラノース-4,1-O-ジイル)]-4,6-ジデオキシ-α-D-グルコピラノース-6-イルチオ]アセトアミド
  • 3-(1H-イミダゾール-4-イル)-N-{[36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}-2-[2-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-テトラデカヒドロキシ-10,15,20,25,30,35-ヘキサキス(ヒドロキシメチル)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-テトラデカオキサオクタシクロ[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]ノナテトラコンタン-5-イル]メチル}スルファニル)アセトアミド]プロパンアミド
  • 3-(1H-imidazol-4-yl)-N-{[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl}-2-[2-({[36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-10,15,20,25,30,35-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methyl}sulfanyl)acetamido]propanamide
Other name (1)：
  • N-[1-[1-O,4-[(4-Deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-ylamino]-3-(1H-imidazole-4-yl)-1-oxopropane-2-yl]-2-[1-O,4-[(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)(4-deoxy-α-D-glucopyranose-4,1-O-diyl)]-4,6-dideoxy-α-D-glucopyranose-6-ylthio]acetamide
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