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(3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-(1H-indol-3-yl)-2-keto-nipecotic acid benzyl ester
SpectraBase Compound ID DN5CZVpylHA
InChI InChI=1S/C27H30N2O5/c1-27(2,3)34-23(30)16-29-14-13-20(21-15-28-22-12-8-7-11-19(21)22)24(25(29)31)26(32)33-17-18-9-5-4-6-10-18/h4-12,15,20,24,28H,13-14,16-17H2,1-3H3/t20-,24-/m1/s1
InChIKey YXKOPDMZBUCPQJ-HYBUGGRVSA-N
Mol Weight 462.55 g/mol
Molecular Formula C27H30N2O5
Exact Mass 462.215472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5bcbV8KtMP
Name (3R,4S)-1-(2-tert-butoxy-2-keto-ethyl)-4-(1H-indol-3-yl)-2-keto-nipecotic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O5
InChI InChI=1S/C27H30N2O5/c1-27(2,3)34-23(30)16-29-14-13-20(21-15-28-22-12-8-7-11-19(21)22)24(25(29)31)26(32)33-17-18-9-5-4-6-10-18/h4-12,15,20,24,28H,13-14,16-17H2,1-3H3/t20-,24-/m1/s1
InChIKey YXKOPDMZBUCPQJ-HYBUGGRVSA-N
Molecular Weight 462.546 g/mol
SMILES [nH]1c2c(c(c1)[C@@]1([C@](C(N(CC(OC(C)(C)C)=O)CC1)=O)(C(OCc1ccccc1)=O)[H])[H])cccc2
SPLASH splash10-0a4l-9000000000-aa9f48b990f1ec2855f0
Source of Spectrum F-68-9548-8
Synonyms (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-3-piperidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-2-oxidanylidene-piperidine-3-carboxylate benzyl (3R,4S)-1-(2-tert-butoxy-2-oxo-ethyl)-4-(1H-indol-3-yl)-2-oxo-piperidine-3-carboxylate benzyl (3R,4S)-4-(1H-indol-3-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopiperidine-3-carboxylate
Wiley ID 1573883