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N2-[4-[[(Benzyloxy)carbonyl)methylamino]benzoyl]-N5-[(1,1,dimethylethoy)carbonyl]-DL-4,4,difluoroornithine tert-Butyl ester
SpectraBase Compound ID Jrzi59ttfyc
InChI InChI=1S/C30H39F2N3O7/c1-28(2,3)41-25(37)23(17-30(31,32)19-33-26(38)42-29(4,5)6)34-24(36)21-13-15-22(16-14-21)35(7)27(39)40-18-20-11-9-8-10-12-20/h8-16,23H,17-19H2,1-7H3,(H,33,38)(H,34,36)
InChIKey ANYKQWWNJJYTQH-UHFFFAOYSA-N
Mol Weight 591.7 g/mol
Molecular Formula C30H39F2N3O7
Exact Mass 591.275607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14KUehdWKSW
Name N2-[4-[[(Benzyloxy)carbonyl)methylamino]benzoyl]-N5-[(1,1,dimethylethoy)carbonyl]-DL-4,4,difluoroornithine tert-Butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H39F2N3O7
InChI InChI=1S/C30H39F2N3O7/c1-28(2,3)41-25(37)23(17-30(31,32)19-33-26(38)42-29(4,5)6)34-24(36)21-13-15-22(16-14-21)35(7)27(39)40-18-20-11-9-8-10-12-20/h8-16,23H,17-19H2,1-7H3,(H,33,38)(H,34,36)
InChIKey ANYKQWWNJJYTQH-UHFFFAOYSA-N
Molecular Weight 591.653 g/mol
SMILES N(C(c1ccc(N(C(OCc2ccccc2)=O)C)cc1)=O)C(CC(CNC(OC(C)(C)C)=O)(F)F)C(OC(C)(C)C)=O
SPLASH splash10-0006-9060100000-fc71be3bd895da0b80c6
Source of Spectrum E1-39-2539-10
Synonyms 4,4-Difluoro-2-[[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester tert-Butyl 4,4-difluoro-2-[[4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate tert-Butyl 2-[[4-[benzyloxycarbonyl(methyl)amino]benzoyl]amino]-5-(tert-butoxycarbonylamino)-4,4-difluoro-pentanoate tert-Butyl 4,4-bis(fluoranyl)-2-[[4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
Wiley ID 1598807