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(2S)-2-(2,2-diphenylethanoylamino)-3-(1H-indol-3-yl)propanoic acid
SpectraBase Compound ID 4A9yrKf8JSV
InChI InChI=1S/C25H22N2O3/c28-24(23(17-9-3-1-4-10-17)18-11-5-2-6-12-18)27-22(25(29)30)15-19-16-26-21-14-8-7-13-20(19)21/h1-14,16,22-23,26H,15H2,(H,27,28)(H,29,30)/t22-/m0/s1
InChIKey XMBIQPOVGYNNRR-QFIPXVFZSA-N
Mol Weight 398.46 g/mol
Molecular Formula C25H22N2O3
Exact Mass 398.163043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xGwE6Q0dQj
Name (2S)-2-(2,2-diphenylethanoylamino)-3-(1H-indol-3-yl)propanoic acid
CAS Registry Number 78490-38-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N2O3
InChI InChI=1S/C25H22N2O3/c28-24(23(17-9-3-1-4-10-17)18-11-5-2-6-12-18)27-22(25(29)30)15-19-16-26-21-14-8-7-13-20(19)21/h1-14,16,22-23,26H,15H2,(H,27,28)(H,29,30)/t22-/m0/s1
InChIKey XMBIQPOVGYNNRR-QFIPXVFZSA-N
Molecular Weight 398.462 g/mol
SMILES N(C(C(c1ccccc1)c1ccccc1)=O)[C@@](Cc1c[nH]c2c1cccc2)(C(=O)O)[H]
SPLASH splash10-014i-1911000000-9cfded6e2d918d6db634
Source of Spectrum W5-1989-32935-32601
Synonyms (2S)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propanoic acid (2S)-2-[(2,2-diphenylacetyl)amino]-3-(1H-indol-3-yl)propionic acid (2S)-3-(1H-indol-3-yl)-2-[(1-oxo-2,2-diphenylethyl)amino]propanoic acid
Wiley ID 1368582