Chem
J-GLOBAL ID：200907055511277913   Nikkaji number：J834.688G

N-[2-Nitro-5-(β-D-glucopyranosyloxy)benzyloxycarbonyl]-Leu-Leu-OMe

N-[2-ニトロ-5-(β-D-グルコピラノシルオキシ)ベンジルオキシカルボニル]-Leu-Leu-OMe
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： C27H41N2[N+]O12[O-]
Molecular formula furigana： C27-H41-N3-O13
Molecular weight： 615.633
InChI： InChI=1S/C27H41N3O13/c1-13(2)8-17(24(35)28-18(9-14(3)4)25(36)40-5)29-27(37)41-12-15-10-16(6-7-19(15)30(38)39)42-26-23(34)22(33)21(32)20(11-31)43-26/h6-7,10,13-14,17-18,20-23,26,31-34H,8-9,11-12H2,1-5H3,(H,28,35)(H,29,37)/t17-,18-,20+,21+,22-,23+,26+/m0/s1
InChI key： JCTBOYAGFRWPPJ-FYDZVGDJSA-N
SMILES： COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1[N+](=O)[O-]
Systematic name  (4)：
  • N-[2-ニトロ-5-(β-D-グルコピラノシルオキシ)ベンジルオキシカルボニル]-L-Leu-L-Leu-OMe
  • N-[2-ニトロ-5-(β-D-グルコピラノシルオキシ)ベンジルオキシカルボニル]-Leu-Leu-OMe
  • メチル (2S)-4-メチル-2-[(2S)-4-メチル-2-({[(2-ニトロ-5-{[(2S,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]オキシ}フェニル)メトキシ]カルボニル}アミノ)ペンタンアミド]ペンタノアート
  • methyl (2S)-4-methyl-2-[(2S)-4-methyl-2-({[(2-nitro-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methoxy]carbonyl}amino)pentanamido]pentanoate
Other name (2)：
  • N-[2-Nitro-5-(β-D-glucopyranosyloxy)benzyloxycarbonyl]-L-Leu-L-Leu-OMe
  • N-[2-Nitro-5-(β-D-glucopyranosyloxy)benzyloxycarbonyl]-Leu-Leu-OMe
Thsaurus map：
Thesaurus Map

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