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Alanine, N-[(1,1-dimethylethoxy)phenylacetyl]-2-methyl-, 2-[[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino]-2-oxo-1-phenylethyl ester, [R-(R*,R*)]-
SpectraBase Compound ID 4LIcBb6M8DJ
InChI InChI=1S/C30H41N3O6/c1-28(2,3)39-23(21-18-14-11-15-19-21)25(35)32-30(6,7)27(37)38-22(20-16-12-10-13-17-20)24(34)31-29(4,5)26(36)33(8)9/h10-19,22-23H,1-9H3,(H,31,34)(H,32,35)/t22-,23?/m1/s1
InChIKey JMHGCGYISHOXCA-WTQRLHSKSA-N
Mol Weight 539.7 g/mol
Molecular Formula C30H41N3O6
Exact Mass 539.299536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BE2vI4kszWz
Name Alanine, N-[(1,1-dimethylethoxy)phenylacetyl]-2-methyl-, 2-[[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino]-2-oxo-1-phenylethyl ester, [R-(R*,R*)]-
CAS Registry Number 128858-21-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H41N3O6
InChI InChI=1S/C30H41N3O6/c1-28(2,3)39-23(21-18-14-11-15-19-21)25(35)32-30(6,7)27(37)38-22(20-16-12-10-13-17-20)24(34)31-29(4,5)26(36)33(8)9/h10-19,22-23H,1-9H3,(H,31,34)(H,32,35)/t22-,23?/m1/s1
InChIKey JMHGCGYISHOXCA-WTQRLHSKSA-N
Molecular Weight 539.673 g/mol
SMILES N(C(C(N(C)C)=O)(C)C)C([C@](OC(C(NC(C(OC(C)(C)C)c1ccccc1)=O)(C)C)=O)(c1ccccc1)[H])=O
SPLASH splash10-0a4i-9520100000-0030190472c3a53a5e5f
Source of Spectrum H-73-226-17
Synonyms (-)-(R,R)-2-{2-{2-[2-(tert-Butoxy)-2-phenylacetamido]-2-methylpropionato}-2-phenylacetamido}-N,N,2-trimethylpropionamide (1R)-2-{[2-(dimethylamino)-1,1-dimethyl-2-oxoethyl]amino}-2-oxo-1-phenylethyl 2-{[tert-butoxy(phenyl)acetyl]amino}-2-methylpropanoate
Wiley ID 1404476