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(1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-(2-methoxymethylpyrrolidine-1-yl)methoxycarbonylamino]octyl}-N-(2-methoxymethylpyrrolidine-1-yl)methylcarbamate

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(1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-(2-methoxymethylpyrrolidine-1-yl)methoxycarbonylamino]octyl}-N-(2-methoxymethylpyrrolidine-1-yl)methylcarbamate
SpectraBase Compound ID 4O5Zi48F3oc
InChI InChI=1S/C28H54N4O6/c1-7-9-13-23(31(27(33)37-5)29-19-11-15-25(29)21-35-3)17-18-24(14-10-8-2)32(28(34)38-6)30-20-12-16-26(30)22-36-4/h23-26H,7-22H2,1-6H3/t23-,24-,25+,26+/m1/s1
InChIKey CIYRIGYNHNSWHJ-XPGKHFPBSA-N
Mol Weight 542.8 g/mol
Molecular Formula C28H54N4O6
Exact Mass 542.404335 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZCpkTuRBvF
Name (1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-(2-methoxymethylpyrrolidine-1-yl)methoxycarbonylamino]octyl}-N-(2-methoxymethylpyrrolidine-1-yl)methylcarbamate
Alternate Name(s) (1R,4R,2'S,2''S)-(-)-N-{1-Butyl-4-[(2-methoxymethylpyrrolidine-1-yl)methoxycarbonylamino]octyl}-N-(2-methoxymethylpyrrolidine-1-yl)methylcarbamate Methyl (1R,4R)-1-butyl-4-{(methoxycarbonyl)[(2S)-2-(methoxymethyl)pyrrolidinyl]amino}octyl[(2S)-2-(methoxymethyl)pyrrolidinyl]carbamate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H54N4O6
InChI InChI=1S/C28H54N4O6/c1-7-9-13-23(31(27(33)37-5)29-19-11-15-25(29)21-35-3)17-18-24(14-10-8-2)32(28(34)38-6)30-20-12-16-26(30)22-36-4/h23-26H,7-22H2,1-6H3/t23-,24-,25+,26+/m1/s1
InChIKey CIYRIGYNHNSWHJ-XPGKHFPBSA-N
Molecular Weight 542.762 g/mol
SMILES C(N(N1[C@](COC)(CCC1)[H])[C@@](CC[C@](N(N1[C@](COC)(CCC1)[H])C(=O)OC)(CCCC)[H])(CCCC)[H])(=O)OC
SPLASH splash10-0002-4400900000-f46dd0a6422b6778b81c
Source of Spectrum CV-2002-2549-3
Wiley ID 1610551