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(1R,5R,2'S,2''S)-(-)-N-{1-Butyl-5-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]nonyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionylamide

View entire compound with spectra: 1 MS (GC)

(1R,5R,2'S,2''S)-(-)-N-{1-Butyl-5-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]nonyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionylamide
SpectraBase Compound ID HlBxuXYHjKD
InChI InChI=1S/C31H60N4O4/c1-7-11-16-26(34(30(36)9-3)32-22-14-20-28(32)24-38-5)18-13-19-27(17-12-8-2)35(31(37)10-4)33-23-15-21-29(33)25-39-6/h26-29H,7-25H2,1-6H3/t26-,27-,28+,29+/m1/s1
InChIKey OOZGKYKRERDIJH-GKQHHHCTSA-N
Mol Weight 552.8 g/mol
Molecular Formula C31H60N4O4
Exact Mass 552.461456 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tEWQJdGX5H
Name (1R,5R,2'S,2''S)-(-)-N-{1-Butyl-5-[(2-methoxymethylpyrrolidine-1-yl)propionylamino]nonyl}-N-(2-methoxymethylpyrrolidin-1-yl)propionylamide
Alternate Name(s) N-{(1R,5R)-1-butyl-5-[[(2S)-2-(methoxymethyl)pyrrolidinyl](propionyl)amino]nonyl}-N-[(2S)-2-(methoxymethyl)pyrrolidinyl]propanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H60N4O4
InChI InChI=1S/C31H60N4O4/c1-7-11-16-26(34(30(36)9-3)32-22-14-20-28(32)24-38-5)18-13-19-27(17-12-8-2)35(31(37)10-4)33-23-15-21-29(33)25-39-6/h26-29H,7-25H2,1-6H3/t26-,27-,28+,29+/m1/s1
InChIKey OOZGKYKRERDIJH-GKQHHHCTSA-N
Molecular Weight 552.845 g/mol
SMILES C(N(N1[C@](COC)(CCC1)[H])[C@@](CCC[C@](N(N1[C@](COC)(CCC1)[H])C(=O)CC)(CCCC)[H])(CCCC)[H])(=O)CC
SPLASH splash10-03dl-5900000000-270de7f23a2460410349
Source of Spectrum SO-0-2553-3
Wiley ID 864589