Chem
J-GLOBAL ID：200907066290237425   Nikkaji number：J1.943.654C

N-[α-Methyl-2-nitro-5-(β-D-glucopyranosyloxy)benzyloxycarbonyl]-Leu-Leu-OMe

N-[α-メチル-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： C28H43N2[N+]O12[O-]
Molecular formula furigana： C28-H43-N3-O13
Molecular weight： 629.660
InChI： InChI=1S/C28H43N3O13/c1-13(2)9-18(25(36)29-19(10-14(3)4)26(37)41-6)30-28(38)42-15(5)17-11-16(7-8-20(17)31(39)40)43-27-24(35)23(34)22(33)21(12-32)44-27/h7-8,11,13-15,18-19,21-24,27,32-35H,9-10,12H2,1-6H3,(H,29,36)(H,30,38)/t15?,18-,19-,21+,22+,23-,24+,27+/m0/s1
InChI key： COSUPLIIKUQZQP-HVAUIEDQSA-N
SMILES： COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)c1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1[N+](=O)[O-]
Systematic name  (3)：
  • N-[α-メチル-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-({[1-(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)エトキシ]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-({[1-(2-nitro-5-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)ethoxy]carbonyl}amino)pentanamido]pentanoate
Other name (1)：
  • N-[α-Methyl-2-nitro-5-(β-D-glucopyranosyloxy)benzyloxycarbonyl]-Leu-Leu-OMe
Thsaurus map：
Thesaurus Map

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