Chem
J-GLOBAL ID：201407056109475110   Nikkaji number：J3.304.576J

N-[2-[[2-[[2-[[2-[[20-(β-D-Glucopyranosylamino)-1,20-dioxoicosyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamic acid benzyl ester

N-[2-[[2-[[2-[[2-[[20-(β-D-グルコピラノシルアミノ)-1,20-ジオキソイコシル]アミノ]アセチル]アミノ]アセチル]アミノ]アセチル]アミノ]エチル]カルバミド酸ベンジル
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： C42H70N6O12
Molecular formula furigana： C42-H70-N6-O12
Molecular weight： 851.052
InChI： InChI=1S/C42H70N6O12/c49-29-32-38(55)39(56)40(57)41(60-32)48-34(51)23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-18-22-33(50)45-27-36(53)47-28-37(54)46-26-35(52)43-24-25-44-42(58)59-30-31-20-16-15-17-21-31/h15-17,20-21,32,38-41,49,55-57H,1-14,18-19,22-30H2,(H,43,52)(H,44,58)(H,45,50)(H,46,54)(H,47,53)(H,48,51)/t32-,38-,39+,40-,41-/m1/s1
InChI key： NZANXZZNJBGJEV-CYEDVCCISA-N
SMILES： OC[C@H]1O[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCNC(=O)OCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • N-[2-[[2-[[2-[[2-[[20-(β-D-グルコピラノシルアミノ)-1,20-ジオキソイコシル]アミノ]アセチル]アミノ]アセチル]アミノ]アセチル]アミノ]エチル]カルバミド酸ベンジル
  • ベンジル N-[2-(2-{2-[2-(19-{[(2R,3R,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]カルバモイル}ノナデカンアミド)アセトアミド]アセトアミド}アセトアミド)エチル]カルバマート
  • benzyl N-[2-(2-{2-[2-(19-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl}nonadecanamido)acetamido]acetamido}acetamido)ethyl]carbamate
Other name (1)：
  • N-[2-[[2-[[2-[[2-[[20-(β-D-Glucopyranosylamino)-1,20-dioxoicosyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamic acid benzyl ester
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