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2-{(S)-2-[(2-Hydroxymethyl-phenyl)-methyl-amino]-3-methyl-butyrylamino}-malonic acid diethyl ester
SpectraBase Compound ID 5AD58QD11Fq
InChI InChI=1S/C20H30N2O6/c1-6-27-19(25)16(20(26)28-7-2)21-18(24)17(13(3)4)22(5)15-11-9-8-10-14(15)12-23/h8-11,13,16-17,23H,6-7,12H2,1-5H3,(H,21,24)/t17-/m0/s1
InChIKey XXFCDGWIXWXWJQ-KRWDZBQOSA-N
Mol Weight 394.47 g/mol
Molecular Formula C20H30N2O6
Exact Mass 394.210387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgHXTSgTuDd
Name 2-{(S)-2-[(2-Hydroxymethyl-phenyl)-methyl-amino]-3-methyl-butyrylamino}-malonic acid diethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30N2O6
InChI InChI=1S/C20H30N2O6/c1-6-27-19(25)16(20(26)28-7-2)21-18(24)17(13(3)4)22(5)15-11-9-8-10-14(15)12-23/h8-11,13,16-17,23H,6-7,12H2,1-5H3,(H,21,24)/t17-/m0/s1
InChIKey XXFCDGWIXWXWJQ-KRWDZBQOSA-N
Molecular Weight 394.468 g/mol
SMILES N(C(C(=O)OCC)C(=O)OCC)C([C@@](N(c1c(CO)cccc1)C)(C(C)C)[H])=O
SPLASH splash10-004j-6409000000-879f7f9fae4650a0cd70
Source of Spectrum C-120-12466-29
Synonyms N-[bis(Ethoxycarbonyl)methyl]-2-{N-methyl-N-[(2-hydroxymethyl)phenyl]amino}-3-methylpropanoyl-carbamide
Wiley ID 1699946