(2S)-3-[benzoxy(nitroso)amino]-2-(benzyloxycarbonylamino)propionic acid benzyl ester

SpectraBase Compound ID	Gd7d69qchh0
InChI	InChI=1S/C25H25N3O6/c29-24(32-17-20-10-4-1-5-11-20)23(26-25(30)33-18-21-12-6-2-7-13-21)16-28(27-31)34-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,26,30)/t23-/m0/s1
InChIKey	YPPXCRPBRHCANT-QHCPKHFHSA-N Google Search
Mol Weight	463.49 g/mol
Molecular Formula	C25H25N3O6
Exact Mass	463.174336 g/mol

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SpectraBase Spectrum ID	LgUPeGO0PvX
Name	(2S)-3-[Benzoxy(nitroso)amino]-2-(benzyloxycarbonylamino)propionic acid benzyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	463.174335531 u
Formula	C25H25N3O6
InChI	InChI=1S/C25H25N3O6/c29-24(32-17-20-10-4-1-5-11-20)23(26-25(30)33-18-21-12-6-2-7-13-21)16-28(27-31)34-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,26,30)/t23-/m0/s1
InChIKey	YPPXCRPBRHCANT-QHCPKHFHSA-N
Molecular Weight	463.490 g/mol
SMILES	C([C@@](NC(=O)OCC=1C=CC=CC1)(CN(N=O)OCC=1C=CC=CC1)[H])(=O)OCC=1C=CC=CC1