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Dimethyl N-(benzyloxycarbonyl)-L-valyl-(2-decarboxy-DL-prolin-2-yl)phosphonate
SpectraBase Compound ID 3oNPGjeGUps
InChI InChI=1S/C19H29N2O6P/c1-13(2)17(21-19(23)27-12-14-8-6-5-7-9-14)18(22)15-10-11-16(20-15)28(24,25-3)26-4/h5-9,13,15-17,20H,10-12H2,1-4H3,(H,21,23)/t15?,16?,17-/m0/s1
InChIKey YLSYSAGYYLWRNK-JCYILVPMSA-N
Mol Weight 412.42 g/mol
Molecular Formula C19H29N2O6P
Exact Mass 412.176324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XBZlEYXnzr
Name Dimethyl N-(benzyloxycarbonyl)-L-valyl-(2-decarboxy-DL-prolin-2-yl)phosphonate
Alternate Name(s) Dimethyl 5-((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)-2-pyrrolidinylphosphonate
CAS Registry Number 126307-14-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H29N2O6P
InChI InChI=1S/C19H29N2O6P/c1-13(2)17(21-19(23)27-12-14-8-6-5-7-9-14)18(22)15-10-11-16(20-15)28(24,25-3)26-4/h5-9,13,15-17,20H,10-12H2,1-4H3,(H,21,23)/t15?,16?,17-/m0/s1
InChIKey YLSYSAGYYLWRNK-JCYILVPMSA-N
Molecular Weight 412.423 g/mol
SMILES N1C(C([C@@](NC(=O)OCc2ccccc2)(C(C)C)[H])=O)CCC1P(=O)(OC)OC
SPLASH splash10-01rw-9300000000-8e79e10595f161733c5d
Source of Spectrum H-72-418-6
Wiley ID 1374320