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(S)-N2-Benzyloxycarbonyl-N1-[bis(methoxycarbonyl)methyl]-valinamide
SpectraBase Compound ID 3nl3e4A5Lce
InChI InChI=1S/C18H24N2O7/c1-11(2)13(15(21)19-14(16(22)25-3)17(23)26-4)20-18(24)27-10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,19,21)(H,20,24)/t13-/m0/s1
InChIKey DJACQLAKPHZXAA-ZDUSSCGKSA-N
Mol Weight 380.4 g/mol
Molecular Formula C18H24N2O7
Exact Mass 380.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19SQjGkJY5E
Name (S)-N2-Benzyloxycarbonyl-N1-[bis(methoxycarbonyl)methyl]-valinamide
Alternate Name(s) 2-[[(2S)-3-methyl-2-[[benzyloxy-oxomethyl]amino]-1-oxobutyl]amino]propanedioic acid dimethyl ester Dimethyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanedioate Dimethyl 2-[[(2S)-3-methyl-2-[benzyloxycarbonylamino]butanoyl]amino]propanedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O7
InChI InChI=1S/C18H24N2O7/c1-11(2)13(15(21)19-14(16(22)25-3)17(23)26-4)20-18(24)27-10-12-8-6-5-7-9-12/h5-9,11,13-14H,10H2,1-4H3,(H,19,21)(H,20,24)/t13-/m0/s1
InChIKey DJACQLAKPHZXAA-ZDUSSCGKSA-N
Molecular Weight 380.397 g/mol
SMILES N(C(C(=O)OC)C(=O)OC)C([C@@](NC(=O)OCc1ccccc1)(C(C)C)[H])=O
SPLASH splash10-0006-9310000000-6f231ff1c40998a580fa
Source of Spectrum KC-0-596-12f
Wiley ID 824484