Chem
J-GLOBAL ID：200907028329907262   Nikkaji number：J2.058.738E

(2S)-2-[(3aR)-1,3-Dioxo-3aα,7aα-dimethyl-3a,4,5,6,7,7a-hexahydro-4β,7β-epoxy-2H-isoindole-2-yl]-6-(tert-butoxycarbonylamino)hexanoic acid

(2S)-6-{[(tert-ブトキシ)カルボニル]アミノ}-2-[(1R,2S,6R,7S)-2,6-ジメチル-3,5-ジオキソ-10-オキサ-4-アザトリシクロ[5.2.1.02,6]デカン-4-イル]ヘキサン酸
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： C21H32N2O7
Molecular formula furigana： C21-H32-N2-O7
Molecular weight： 424.494
InChI： InChI=1S/C21H32N2O7/c1-19(2,3)30-18(28)22-11-7-6-8-12(15(24)25)23-16(26)20(4)13-9-10-14(29-13)21(20,5)17(23)27/h12-14H,6-11H2,1-5H3,(H,22,28)(H,24,25)/t12-,13-,14+,20+,21-/m0/s1
InChI key： WCGIWJRVEALZOB-ROTPHLBMSA-N
SMILES： CC(C)(C)OC(=O)NCCCC[C@H](N1C(=O)[C@@]2(C)[C@@H]3CC[C@@H](O3)[C@@]2(C)C1=O)C(=O)O
Systematic name  (3)：
  • (2S)-2-[(3aR)-1,3-ジオキソ-3aα,7aα-ジメチル-3a,4,5,6,7,7a-ヘキサヒドロ-4β,7β-エポキシ-2H-イソインドール-2-イル]-6-(tert-ブトキシカルボニルアミノ)ヘキサン酸
  • (2S)-6-{[(tert-ブトキシ)カルボニル]アミノ}-2-[(1R,2S,6R,7S)-2,6-ジメチル-3,5-ジオキソ-10-オキサ-4-アザトリシクロ[5.2.1.02,6]デカン-4-イル]ヘキサン酸
  • (2S)-6-{[(tert-butoxy)carbonyl]amino}-2-[(1R,2S,6R,7S)-2,6-dimethyl-3,5-dioxo-10-oxa-4-azatricyclo[5.2.1.02,6]decan-4-yl]hexanoic acid
Other name (1)：
  • (2S)-2-[(3aR)-1,3-Dioxo-3aα,7aα-dimethyl-3a,4,5,6,7,7a-hexahydro-4β,7β-epoxy-2H-isoindole-2-yl]-6-(tert-butoxycarbonylamino)hexanoic acid
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