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(1R,2S)-2-[(N-Benzyloxycarbonyl-L-alaninyl)amino]-N-(1'-methoxy-1'-phenylmethyl)-3-phenylpropanamide

View entire compound with spectra: 1 MS (GC)

(1R,2S)-2-[(N-Benzyloxycarbonyl-L-alaninyl)amino]-N-(1'-methoxy-1'-phenylmethyl)-3-phenylpropanamide
SpectraBase Compound ID 7rX0PEtHNee
InChI InChI=1S/C28H31N3O5/c1-20(29-28(34)36-19-22-14-8-4-9-15-22)25(32)30-24(18-21-12-6-3-7-13-21)26(33)31-27(35-2)23-16-10-5-11-17-23/h3-17,20,24,27H,18-19H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t20-,24-,27+/m0/s1
InChIKey KNBIGDLVJDNEMI-IUGBQFMMSA-N
Mol Weight 489.57 g/mol
Molecular Formula C28H31N3O5
Exact Mass 489.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3qO5VTti5h
Name (1R,2S)-2-[(N-Benzyloxycarbonyl-L-alaninyl)amino]-N-(1'-methoxy-1'-phenylmethyl)-3-phenylpropanamide
Alternate Name(s) ((S)-1-{(S)-1-[((R)-Methoxy-phenyl-methyl)-carbamoyl]-2-phenyl-ethylcarbamoyl}-ethyl)-carbamic acid benzyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H31N3O5
InChI InChI=1S/C28H31N3O5/c1-20(29-28(34)36-19-22-14-8-4-9-15-22)25(32)30-24(18-21-12-6-3-7-13-21)26(33)31-27(35-2)23-16-10-5-11-17-23/h3-17,20,24,27H,18-19H2,1-2H3,(H,29,34)(H,30,32)(H,31,33)/t20-,24-,27+/m0/s1
InChIKey KNBIGDLVJDNEMI-IUGBQFMMSA-N
Molecular Weight 489.572 g/mol
SMILES N(C([C@@](NC([C@@](NC(=O)OCc1ccccc1)(C)[H])=O)(Cc1ccccc1)[H])=O)[C@@](c1ccccc1)(OC)[H]
SPLASH splash10-0006-9000000000-b18ba937d7e1dd954b99
Source of Spectrum KC-0-1651-12d
Wiley ID 822521