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l-Leucine, N-[4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-3-nitro-4-oxobutyl]-, methyl ester, (s)-
SpectraBase Compound ID 1kT50G8LWBn
InChI InChI=1S/C26H42N2O7/c1-16(2)13-20(23(29)34-10)27-12-11-21(28(31)32)24(30)35-22-18(25(3,4)5)14-17(33-9)15-19(22)26(6,7)8/h14-16,20-21,27H,11-13H2,1-10H3
InChIKey XRAMEOGSJRXJSE-UHFFFAOYSA-N
Mol Weight 494.6 g/mol
Molecular Formula C26H42N2O7
Exact Mass 494.299202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BB5tlGgcY9s
Name l-Leucine, N-[4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-3-nitro-4-oxobutyl]-, methyl ester, (s)-
CAS Registry Number 124201-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H42N2O7
InChI InChI=1S/C26H42N2O7/c1-16(2)13-20(23(29)34-10)27-12-11-21(28(31)32)24(30)35-22-18(25(3,4)5)14-17(33-9)15-19(22)26(6,7)8/h14-16,20-21,27H,11-13H2,1-10H3
InChIKey XRAMEOGSJRXJSE-UHFFFAOYSA-N
Molecular Weight 494.629 g/mol
SMILES N(C(C(OC)=O)CC(C)C)CCC(N(=O)=O)C(=O)Oc1c(cc(cc1C(C)(C)C)OC)C(C)(C)C
SPLASH splash10-000i-9650300000-9730b04cc8ac6f797f9f
Synonyms 2-Pentyl 6-(4-pentylphenyl) 2,6-naphthalenedicarboxylate L-leucine, N-[4-[2,6-bis(1,1-dimethylethyl)-4-methoxyphenoxy]-3-nitro-4-oxobutyl Methyl 2-{[4-(2,6-ditert-butyl-4-methoxyphenoxy)-3-nitro-4-oxobutyl]amino}-4-methylpentanoate Naphthalene-2,6-dicarboxylic acid pentyl ester 4-pentyl-phenyl ester
Wiley ID 1485432