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Butyl 2-amino-5-[bis(trifluoroacetyl)amino]-5-(4,6-dimethyl-2-pyrimidinyl)pentanoate
SpectraBase Compound ID KVRWM0sGDUz
InChI InChI=1S/C19H24F6N4O4/c1-4-5-8-33-15(30)12(26)6-7-13(14-27-10(2)9-11(3)28-14)29(16(31)18(20,21)22)17(32)19(23,24)25/h9,12-13H,4-8,26H2,1-3H3
InChIKey QCAUVGVBGBXLQG-UHFFFAOYSA-N
Mol Weight 486.42 g/mol
Molecular Formula C19H24F6N4O4
Exact Mass 486.170174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BYf5J5sBNVx
Name Butyl 2-amino-5-[bis(trifluoroacetyl)amino]-5-(4,6-dimethyl-2-pyrimidinyl)pentanoate
Alternate Name(s) 2-Amino-5-[bis(2,2,2-trifluoro-1-oxoethyl)amino]-5-(4,6-dimethyl-2-pyrimidinyl)pentanoic acid butyl ester 2-Amino-5-[bis(2,2,2-trifluoroacetyl)amino]-5-(4,6-dimethylpyrimidin-2-yl)valeric acid butyl ester Butyl 2-amino-5-[bis(2,2,2-trifluoroacetyl)amino]-5-(4,6-dimethylpyrimidin-2-yl)pentanoate Butyl 2-azanyl-5-[bis[2,2,2-tris(fluoranyl)ethanoyl]amino]-5-(4,6-dimethylpyrimidin-2-yl)pentanoate N(5)-(4,6-Dimethylpyrimidin-2-yl)-N(2),N(5)-bis(trifluoroacetyl)ornithine butyl ester
CAS Registry Number 68671-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H24F6N4O4
InChI InChI=1S/C19H24F6N4O4/c1-4-5-8-33-15(30)12(26)6-7-13(14-27-10(2)9-11(3)28-14)29(16(31)18(20,21)22)17(32)19(23,24)25/h9,12-13H,4-8,26H2,1-3H3
InChIKey QCAUVGVBGBXLQG-UHFFFAOYSA-N
Molecular Weight 486.415 g/mol
SMILES NC(CCC(c1nc(C)cc(C)n1)N(C(C(F)(F)F)=O)C(C(F)(F)F)=O)C(=O)OCCCC
SPLASH splash10-0ir9-0963100000-7da4b66491cfca14a393
Source of Spectrum W5-1989-7212-1
Wiley ID 1396369