(2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[phenyl-(trifluoromethylsulfonylamino)methyl]-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester

SpectraBase Compound ID	LpDlc09vQTg
InChI	InChI=1S/C26H32F3N3O5S/c1-17-20(21(19-14-10-7-11-15-19)31-38(34,35)26(27,28)29)22(36-5)30-23(25(2,3)4)32(17)24(33)37-16-18-12-8-6-9-13-18/h6-15,17,20-21,23,31H,16H2,1-5H3/t17-,20+,21?,23+/m0/s1
InChIKey	LEKFLYLNUCASMX-FTCPKIBYSA-N Google Search
Mol Weight	555.6 g/mol
Molecular Formula	C26H32F3N3O5S
Exact Mass	555.201477 g/mol

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SpectraBase Spectrum ID	FyQtnNTsedo
Name	(2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[phenyl-(trifluoromethylsulfonylamino)methyl]-4,5-dihydro-2H-pyrimidine-3-carboxylic acid (phenylmethyl) ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H32F3N3O5S
InChI	InChI=1S/C26H32F3N3O5S/c1-17-20(21(19-14-10-7-11-15-19)31-38(34,35)26(27,28)29)22(36-5)30-23(25(2,3)4)32(17)24(33)37-16-18-12-8-6-9-13-18/h6-15,17,20-21,23,31H,16H2,1-5H3/t17-,20+,21?,23+/m0/s1
InChIKey	LEKFLYLNUCASMX-FTCPKIBYSA-N
Molecular Weight	555.613 g/mol
SMILES	N(S(C(F)(F)F)(=O)=O)C([C@]1([C@@](N([C@@](N=C1OC)(C(C)(C)C)[H])C(OCc1ccccc1)=O)(C)[H])[H])c1ccccc1
SPLASH	splash10-0f6y-8030900000-9409079ce1197e0e23a4
Source of Spectrum	U1-1999-354-0
Synonyms	(2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[phenyl-(triflylamino)methyl]-4,5-dihydro-2H-pyrimidine-3-carboxylic acid benzyl ester (phenylmethyl) (2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[phenyl-(trifluoromethylsulfonylamino)methyl]-4,5-dihydro-2H-pyrimidine-3-carboxylate benzyl (2R,4S,5R)-2-tert-butyl-6-methoxy-4-methyl-5-[phenyl-(trifluoromethylsulfonylamino)methyl]-4,5-dihydro-2H-pyrimidine-3-carboxylate
Wiley ID	752514