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(2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-oxobutyl)-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester

View entire compound with spectra: 1 MS (GC)

(2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-oxobutyl)-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
SpectraBase Compound ID JvfTt1wVXYj
InChI InChI=1S/C26H34N2O6/c1-27(2)23(30)15-20-13-12-19(11-7-8-14-29)24-21(20)16-22(25(31)33-3)28(24)26(32)34-17-18-9-5-4-6-10-18/h4-6,9-10,13-14,19,21-22,24H,7-8,11-12,15-17H2,1-3H3/t19-,21-,22+,24+/m1/s1
InChIKey RIHKTUWWIFKQHZ-VLHNPEIBSA-N
Mol Weight 470.6 g/mol
Molecular Formula C26H34N2O6
Exact Mass 470.241687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGMq3eu3HNv
Name (2S,3aR,4S,7R,7aS)-4-((Dimethylcarbamoyl)methyl)-7-(4-oxobutyl)-2,3,3a,6,7,7a-hexahydroindole-1,2-dicarboxylic acid 1-Benzyl ester 2-Methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O6
InChI InChI=1S/C26H34N2O6/c1-27(2)23(30)15-20-13-12-19(11-7-8-14-29)24-21(20)16-22(25(31)33-3)28(24)26(32)34-17-18-9-5-4-6-10-18/h4-6,9-10,13-14,19,21-22,24H,7-8,11-12,15-17H2,1-3H3/t19-,21-,22+,24+/m1/s1
InChIKey RIHKTUWWIFKQHZ-VLHNPEIBSA-N
Molecular Weight 470.566 g/mol
SMILES [C@]1(N([C@]2([C@@](CC=C([C@]2(C1)[H])CC(N(C)C)=O)(CCCC=O)[H])[H])C(=O)OCc1ccccc1)(C(=O)OC)[H]
SPLASH splash10-00r6-9124100000-8bf1685412af031bfd28
Source of Spectrum C-117-11110-30
Synonyms 1-Benzyl 2-methyl (2S,3aR,7R,7aS)-4-[2-(dimethylamino)-2-oxoethyl]-7-(4-oxobutyl)-2,3,3a,6,7,7a-hexahydro-1H-indole-1,2-dicarboxylate
Wiley ID 759365