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[(1R)-Benzyloxycarbonylamino-(4R)-(naphthalen-2-ylcarbamoyl)-2-trifluoromethylpent-(2E)-enyl]benzoic acid methyl ester
SpectraBase Compound ID JV5jbvVFSdb
InChI InChI=1S/C33H29F3N2O5/c1-21(30(39)37-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33(34,35)36)29(24-12-14-25(15-13-24)31(40)42-2)38-32(41)43-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,37,39)(H,38,41)/b28-18-/t21-,29-/m1/s1
InChIKey PHRPRKDICIVJFT-WIBOZLAGSA-N
Mol Weight 590.6 g/mol
Molecular Formula C33H29F3N2O5
Exact Mass 590.202857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DyWIWN0c6N
Name [(1R)-Benzyloxycarbonylamino-(4R)-(naphthalen-2-ylcarbamoyl)-2-trifluoromethylpent-(2E)-enyl]benzoic acid methyl ester
Alternate Name(s) Methyl 4-((1R,4R,Z)-1-(((benzyloxy)carbonyl)amino)-4-methyl-5-(naphthalen-2-ylamino)-5-oxo-2-(trifluoromethyl)pent-2-en-1-yl)benzoate 4-[(Z,1R,4R)-4-methyl-5-(2-naphthalenylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoic acid methyl ester Methyl 4-[(Z,1R,4R)-4-methyl-5-(naphthalen-2-ylamino)-5-oxo-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoate Methyl 4-[(Z,1R,4R)-1-(benzyloxycarbonylamino)-4-methyl-5-(2-naphthylamino)-5-oxo-2-(trifluoromethyl)pent-2-enyl]benzoate Methyl 4-[(Z,1R,4R)-4-methyl-5-(naphthalen-2-ylamino)-5-oxidanylidene-1-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)pent-2-enyl]benzoate
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Formula C33H29F3N2O5
InChI InChI=1S/C33H29F3N2O5/c1-21(30(39)37-27-17-16-23-10-6-7-11-26(23)19-27)18-28(33(34,35)36)29(24-12-14-25(15-13-24)31(40)42-2)38-32(41)43-20-22-8-4-3-5-9-22/h3-19,21,29H,20H2,1-2H3,(H,37,39)(H,38,41)/b28-18-/t21-,29-/m1/s1
InChIKey PHRPRKDICIVJFT-WIBOZLAGSA-N
Literature Reference DOI 10.1002/adsc.200505171
Molecular Weight 590.599 g/mol
SMILES N([C@@](\C(=C\[C@](C(=O)Nc1cc2c(cc1)cccc2)(C)[H])C(F)(F)F)(c1ccc(cc1)C(OC)=O)[H])C(OCc1ccccc1)=O
SPLASH splash10-0006-8910030000-b78b348b502048f4059c
Source of Spectrum ASC-347-1605/SM23-16
Wiley ID 1767722