Chem
J-GLOBAL ID：200907096164446040   Nikkaji number：J2.058.739C

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

(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]-5-(tert-ブトキシカルボニルアミノ)吉草酸
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： C20H30N2O7
Molecular formula furigana： C20-H30-N2-O7
Molecular weight： 410.467
InChI： InChI=1S/C20H30N2O7/c1-18(2,3)29-17(27)21-10-6-7-11(14(23)24)22-15(25)19(4)12-8-9-13(28-12)20(19,5)16(22)26/h11-13H,6-10H2,1-5H3,(H,21,27)(H,23,24)/t11-,12-,13+,19+,20-/m0/s1
InChI key： KSKRGZVAMFDHKJ-RVEGRQJZSA-N
SMILES： CC(C)(C)OC(=O)NCCC[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]-5-(tert-ブトキシカルボニルアミノ)吉草酸
  • (2S)-5-{[(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]ペンタン酸
  • (2S)-5-{[(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]pentanoic 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]-5-(tert-butoxycarbonylamino)valeric acid
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