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(2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester
SpectraBase Compound ID 36pRaCjLb9V
InChI InChI=1S/C20H31N2O6P/c1-15(2)13-18(29(25,26-3)27-4)21-19(23)17-11-8-12-22(17)20(24)28-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,21,23)/t17-,18?/m0/s1
InChIKey LLMUNXZYSVDENY-ZENAZSQFSA-N
Mol Weight 426.45 g/mol
Molecular Formula C20H31N2O6P
Exact Mass 426.191974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xmxIrrjBIq
Name (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester
CAS Registry Number 126307-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H31N2O6P
InChI InChI=1S/C20H31N2O6P/c1-15(2)13-18(29(25,26-3)27-4)21-19(23)17-11-8-12-22(17)20(24)28-14-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,8,11-14H2,1-4H3,(H,21,23)/t17-,18?/m0/s1
InChIKey LLMUNXZYSVDENY-ZENAZSQFSA-N
Molecular Weight 426.450 g/mol
SMILES N(C([C@]1(N(C(OCc2ccccc2)=O)CCC1)[H])=O)C(P(=O)(OC)OC)CC(C)C
SPLASH splash10-03gm-9300000000-e61f89b1360859a19610
Source of Spectrum H-72-416-4
Synonyms (2S)-2-[[(1-dimethoxyphosphoryl-3-methylbutyl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester (phenylmethyl) (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylate benzyl (2S)-2-[(1-dimethoxyphosphoryl-3-methyl-butyl)carbamoyl]pyrrolidine-1-carboxylate
Wiley ID 1379838