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(3S)-3-(N-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-2-methoxy-6-methylanilino)-2,2-dimethyl-3-phenylpropanoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(3S)-3-(N-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-2-methoxy-6-methylanilino)-2,2-dimethyl-3-phenylpropanoic acid methyl ester
SpectraBase Compound ID He6a6jmok1u
InChI InChI=1S/C26H36N2O4/c1-17-13-12-16-19(31-7)20(17)28(23(29)21(27)25(2,3)4)22(18-14-10-9-11-15-18)26(5,6)24(30)32-8/h9-16,21-22H,27H2,1-8H3/t21-,22+/m1/s1
InChIKey PUTGQULXMCTCSP-YADHBBJMSA-N
Mol Weight 440.6 g/mol
Molecular Formula C26H36N2O4
Exact Mass 440.267508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpXfXs8pzgm
Name (3S)-3-(N-[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]-2-methoxy-6-methylanilino)-2,2-dimethyl-3-phenylpropanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O4
InChI InChI=1S/C26H36N2O4/c1-17-13-12-16-19(31-7)20(17)28(23(29)21(27)25(2,3)4)22(18-14-10-9-11-15-18)26(5,6)24(30)32-8/h9-16,21-22H,27H2,1-8H3/t21-,22+/m1/s1
InChIKey PUTGQULXMCTCSP-YADHBBJMSA-N
Molecular Weight 440.584 g/mol
SMILES N[C@](C(N([C@](C(C(=O)OC)(C)C)(c1ccccc1)[H])c1c(OC)cccc1C)=O)(C(C)(C)C)[H]
SPLASH splash10-000i-9020000000-82a1bc4184135c79b4a6
Source of Spectrum QE-6-2042-18
Synonyms (3S)-3-(N-[(2S)-2-amino-3,3-dimethyl-butanoyl]-2-methoxy-6-methyl-anilino)-2,2-dimethyl-3-phenyl-propionic acid methyl ester Methyl (3S)-3-(N-[(2S)-2-amino-3,3-dimethyl-butanoyl]-2-methoxy-6-methyl-anilino)-2,2-dimethyl-3-phenyl-propanoate Methyl (3S)-3-[[(2S)-2-azanyl-3,3-dimethyl-butanoyl]-(2-methoxy-6-methyl-phenyl)amino]-2,2-dimethyl-3-phenyl-propanoate
Wiley ID 844749