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tert-Butyl 2-(acetyl[3-(acetylamino)-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]amino)-4-methylpentanoate
SpectraBase Compound ID 69sKzSjefe0
InChI InChI=1S/C33H54N2O7/c1-20(2)17-27(30(39)42-33(11,12)13)35(22(4)37)16-15-26(34-21(3)36)29(38)41-28-24(31(5,6)7)18-23(40-14)19-25(28)32(8,9)10/h18-20,26-27H,15-17H2,1-14H3,(H,34,36)
InChIKey CCXIUNFCEJRKSX-UHFFFAOYSA-N
Mol Weight 590.8 g/mol
Molecular Formula C33H54N2O7
Exact Mass 590.393102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGKGkjWyicz
Name tert-Butyl 2-(acetyl[3-(acetylamino)-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]amino)-4-methylpentanoate
CAS Registry Number 124201-94-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H54N2O7
InChI InChI=1S/C33H54N2O7/c1-20(2)17-27(30(39)42-33(11,12)13)35(22(4)37)16-15-26(34-21(3)36)29(38)41-28-24(31(5,6)7)18-23(40-14)19-25(28)32(8,9)10/h18-20,26-27H,15-17H2,1-14H3,(H,34,36)
InChIKey CCXIUNFCEJRKSX-UHFFFAOYSA-N
Molecular Weight 590.802 g/mol
SMILES N(C(CCN(C(CC(C)C)C(=O)OC(C)(C)C)C(=O)C)C(=O)Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C)C(=O)C
SPLASH splash10-052e-9361000000-a492da24037da18e2703
Synonyms 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-keto-butyl]-acetyl-amino]-4-methyl-valeric acid tert-butyl ester 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxyphenoxy)-4-oxobutyl]-acetylamino]-4-methylpentanoic acid tert-butyl ester l-Leucine, N-acetyl-N-[3-(acetylamino)-4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-4-oxobutyl]-, 1,1-dimethylethyl ester, (S)- tert-Butyl 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxidanylidene-butyl]-ethanoyl-amino]-4-methyl-pentanoate tert-Butyl 2-[[3-acetamido-4-(2,6-ditert-butyl-4-methoxy-phenoxy)-4-oxo-butyl]-acetyl-amino]-4-methyl-pentanoate
Wiley ID 1486761