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4-Piperidineacetic acid, 3-[(1,1-dimethylethoxy)carbonyl]-1-[2-(1H-indol-3-yl)ethyl]-2-methyl- 6-oxo-, methyl ester, (2.alpha.,3.beta.,4.beta.)-(.+-.)-
SpectraBase Compound ID 1lr4PfnotKy
InChI InChI=1S/C24H32N2O5/c1-15-22(23(29)31-24(2,3)4)17(13-21(28)30-5)12-20(27)26(15)11-10-16-14-25-19-9-7-6-8-18(16)19/h6-9,14-15,17,22,25H,10-13H2,1-5H3/t15-,17-,22-/m1/s1
InChIKey YKKYHQDAMQHLSN-ZDPZECHZSA-N
Mol Weight 428.5 g/mol
Molecular Formula C24H32N2O5
Exact Mass 428.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpUrmNDkJCt
Name 4-Piperidineacetic acid, 3-[(1,1-dimethylethoxy)carbonyl]-1-[2-(1H-indol-3-yl)ethyl]-2-methyl- 6-oxo-, methyl ester, (2.alpha.,3.beta.,4.beta.)-(.+-.)-
Alternate Name(s) Methyl ester of 3-tert-butoxycarbonyl-1-[2-(3-indolyl)ethyl]-2-methyl-6-oxo-4-piperidine acetic acid tert-Butyl (2R,3S,4R)-1-[2-(1H-indol-3-yl)ethyl]-4-(2-methoxy-2-oxoethyl)-2-methyl-6-oxo-3-piperidinecarboxylate
CAS Registry Number 61756-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32N2O5
InChI InChI=1S/C24H32N2O5/c1-15-22(23(29)31-24(2,3)4)17(13-21(28)30-5)12-20(27)26(15)11-10-16-14-25-19-9-7-6-8-18(16)19/h6-9,14-15,17,22,25H,10-13H2,1-5H3/t15-,17-,22-/m1/s1
InChIKey YKKYHQDAMQHLSN-ZDPZECHZSA-N
Molecular Weight 428.529 g/mol
SMILES [nH]1c2c(c(c1)CCN1[C@@]([C@@](C(OC(C)(C)C)=O)([C@](CC1=O)(CC(=O)OC)[H])[H])(C)[H])cccc2
SPLASH splash10-0006-0901100000-b0124028d1fe7bfb4253
Source of Spectrum K-109-3832-0
Wiley ID 1380735