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Benzoic acid, 4-[[2-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]p ropyl]amino]-, ethyl ester
SpectraBase Compound ID 2pzqa6xisUa
InChI InChI=1S/C21H24N2O5/c1-4-27-18(24)16-10-12-17(13-11-16)22-19(25)21(2,3)23-20(26)28-14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKey FMVIJWNAIIMMNP-UHFFFAOYSA-N
Mol Weight 384.43 g/mol
Molecular Formula C21H24N2O5
Exact Mass 384.168522 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tvzwia5BPC
Name Benzoic acid, 4-[[2-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]p ropyl]amino]-, ethyl ester
Alternate Name(s) Ethyl 4-[(2-{[(benzyloxy)carbonyl]amino}-2-methylpropanoyl)amino]benzoate Ethyl N-(benzyloxycarbonyl)-L-isoleucyl-2-methylalanyl-4-aminobenzoate
CAS Registry Number 116140-00-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O5
InChI InChI=1S/C21H24N2O5/c1-4-27-18(24)16-10-12-17(13-11-16)22-19(25)21(2,3)23-20(26)28-14-15-8-6-5-7-9-15/h5-13H,4,14H2,1-3H3,(H,22,25)(H,23,26)
InChIKey FMVIJWNAIIMMNP-UHFFFAOYSA-N
Molecular Weight 384.432 g/mol
SMILES N(C(=O)OCc1ccccc1)C(C(Nc1ccc(C(=O)OCC)cc1)=O)(C)C
SPLASH splash10-0006-9500000000-eb82c9a73186001a8ad5
Source of Spectrum H-71-149-5
Wiley ID 1361559