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Methyl 2-[((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-4-chloro-3-oxobutanoate
SpectraBase Compound ID L00GjPUUc2S
InChI InChI=1S/C18H23ClN2O6/c1-11(2)14(16(23)20-15(13(22)9-19)17(24)26-3)21-18(25)27-10-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3,(H,20,23)(H,21,25)/t14-,15?/m0/s1
InChIKey MHOBUJCINYJWDS-MLCCFXAWSA-N
Mol Weight 398.84 g/mol
Molecular Formula C18H23ClN2O6
Exact Mass 398.124464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GM6iyrwjGp
Name Methyl 2-[((2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl)amino]-4-chloro-3-oxobutanoate
Alternate Name(s) N(2)-(Benzyloxycarbonyl-N(1)-(3-chloro-1-methoxycarbonyl-2-oxopropyl)valinamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23ClN2O6
InChI InChI=1S/C18H23ClN2O6/c1-11(2)14(16(23)20-15(13(22)9-19)17(24)26-3)21-18(25)27-10-12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3,(H,20,23)(H,21,25)/t14-,15?/m0/s1
InChIKey MHOBUJCINYJWDS-MLCCFXAWSA-N
Molecular Weight 398.843 g/mol
SMILES N(C(C(=O)OC)C(=O)CCl)C([C@@](NC(=O)OCc1ccccc1)(C(C)C)[H])=O
SPLASH splash10-0006-9210000000-ad70808805eada3a83f0
Source of Spectrum KC-0-596-12
Wiley ID 824482