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Dimethyl 2-(3'-indolylmethyl)-c-5-[1"-(1"'-ethoxycarbonyl-2-"'-oxocyclohexyl)ethyl]pyrrolidine-r-2,c-4-dicarboxylate
SpectraBase Compound ID Dk2ertXM9Av
InChI InChI=1S/C28H36N2O7/c1-4-37-25(33)27(13-8-7-11-23(27)31)14-12-22-20(24(32)35-2)16-28(30-22,26(34)36-3)15-18-17-29-21-10-6-5-9-19(18)21/h5-6,9-10,17,20,22,29-30H,4,7-8,11-16H2,1-3H3/t20-,22-,27?,28-/m0/s1
InChIKey QCRBTXACMGGIOL-AXZCKXSTSA-N
Mol Weight 512.6 g/mol
Molecular Formula C28H36N2O7
Exact Mass 512.252252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9dDNLEPyLo4
Name Dimethyl 2-(3'-indolylmethyl)-c-5-[1"-(1"'-ethoxycarbonyl-2-"'-oxocyclohexyl)ethyl]pyrrolidine-r-2,c-4-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N2O7
InChI InChI=1S/C28H36N2O7/c1-4-37-25(33)27(13-8-7-11-23(27)31)14-12-22-20(24(32)35-2)16-28(30-22,26(34)36-3)15-18-17-29-21-10-6-5-9-19(18)21/h5-6,9-10,17,20,22,29-30H,4,7-8,11-16H2,1-3H3/t20-,22-,27?,28-/m0/s1
InChIKey QCRBTXACMGGIOL-AXZCKXSTSA-N
Molecular Weight 512.603 g/mol
SMILES N1[C@]([C@](C[C@@]1(Cc1c[nH]c2c1cccc2)C(=O)OC)(C(=O)OC)[H])(CCC1(C(=O)OCC)C(=O)CCCC1)[H]
SPLASH splash10-001i-0309040000-b898b121c4a2ec7f18fd
Source of Spectrum F-55-8136-3
Synonyms (2R,4S,5S)-5-[2-(1-Ethoxycarbonyl-2-oxo-cyclohexyl)-ethyl]-2-(1H-indol-3-ylmethyl)-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Dimethyl (2R,4S,5S)-5-{(1S)-1-[1-(ethoxycarbonyl)-2-oxocyclohexyl]ethyl}-2-(1H-indol-3-ylmethyl)-2,4-pyrrolidinedicarboxylate Dimethyl 2-(3'-indolylmethyl)-c-5-[1''-(1'''-ethoxycarbonyl-2-'''-oxocyclohexyl)ethyl]pyrrolidine-r-2,c-4-dicarboxylate
Wiley ID 838436