(2S,1'rs)-2-[N-(1'-N-Methylcarbamoyl-(o-diphenylphosphino)benzyl]amino-3-methylbutanoic acid methyl ester

SpectraBase Compound ID	I7fdgI5lHOR
InChI	InChI=1S/C27H31N2O3P/c1-20(2)25(26(30)32-4)29(27(31)28-3)19-21-13-11-12-18-24(21)33(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-18,20,25H,19H2,1-4H3,(H,28,31)/t25-/m0/s1
InChIKey	BLZHYZSRFZBNQN-VWLOTQADSA-N Google Search
Mol Weight	462.53 g/mol
Molecular Formula	C27H31N2O3P
Exact Mass	462.20723 g/mol

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SpectraBase Spectrum ID	2u39lP3AjKA
Name	(2S,1'rs)-2-[N-(1'-N-Methylcarbamoyl-(o-diphenylphosphino)benzyl]amino-3-methylbutanoic acid methyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	462.207229861 u
Formula	C27H31N2O3P
InChI	InChI=1S/C27H31N2O3P/c1-20(2)25(26(30)32-4)29(27(31)28-3)19-21-13-11-12-18-24(21)33(22-14-7-5-8-15-22)23-16-9-6-10-17-23/h5-18,20,25H,19H2,1-4H3,(H,28,31)/t25-/m0/s1
InChIKey	BLZHYZSRFZBNQN-VWLOTQADSA-N
Molecular Weight	462.530 g/mol
SMILES	C(N(CC1=C(P(C2=CC=CC=C2)C=2C=CC=CC2)C=CC=C1)[C@](C(=O)OC)(C(C)C)[H])(=O)NC