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(3R)-3-[(3R)-1-[(2S)-2-(1-ethyl-1-methoxy-propyl)pyrrolidino]-2-keto-pyrrolidin-3-yl]-3-phenyl-propionic acid tert-butyl ester
SpectraBase Compound ID F0z7qXdDKUM
InChI InChI=1S/C27H42N2O4/c1-7-27(8-2,32-6)23-15-12-17-28(23)29-18-16-21(25(29)31)22(20-13-10-9-11-14-20)19-24(30)33-26(3,4)5/h9-11,13-14,21-23H,7-8,12,15-19H2,1-6H3/t21-,22+,23+/m1/s1
InChIKey CAVRIUDDFYUWGR-VJBWXMMDSA-N
Mol Weight 458.6 g/mol
Molecular Formula C27H42N2O4
Exact Mass 458.314458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J9mpJvc0ut6
Name (3R)-3-[(3R)-1-[(2S)-2-(1-ethyl-1-methoxy-propyl)pyrrolidino]-2-keto-pyrrolidin-3-yl]-3-phenyl-propionic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42N2O4
InChI InChI=1S/C27H42N2O4/c1-7-27(8-2,32-6)23-15-12-17-28(23)29-18-16-21(25(29)31)22(20-13-10-9-11-14-20)19-24(30)33-26(3,4)5/h9-11,13-14,21-23H,7-8,12,15-19H2,1-6H3/t21-,22+,23+/m1/s1
InChIKey CAVRIUDDFYUWGR-VJBWXMMDSA-N
Molecular Weight 458.643 g/mol
SMILES [C@]1(N(N2C([C@@]([C@@](CC(OC(C)(C)C)=O)(c3ccccc3)[H])(CC2)[H])=O)CCC1)(C(OC)(CC)CC)[H]
SPLASH splash10-0a4i-2109000000-39258e7a5a406ea5a2bd
Source of Spectrum H1-52-743-4
Synonyms (3R)-3-[(3R)-1-[(2S)-2-(3-methoxypentan-3-yl)-1-pyrrolidinyl]-2-oxo-3-pyrrolidinyl]-3-phenylpropanoic acid tert-butyl ester tert-Butyl (3R)-3-[(3R)-1-[(2S)-2-(1-ethyl-1-methoxy-propyl)pyrrolidin-1-yl]-2-oxo-pyrrolidin-3-yl]-3-phenyl-propanoate tert-Butyl (3R)-3-[(3R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-oxidanylidene-pyrrolidin-3-yl]-3-phenyl-propanoate tert-Butyl (3R)-3-[(3R)-1-[(2S)-2-(3-methoxypentan-3-yl)pyrrolidin-1-yl]-2-oxopyrrolidin-3-yl]-3-phenylpropanoate
Wiley ID 817678