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Alanine, 2-methyl-N-[2-methyl-N-[2-methyl-N-(phenylacetyl)alanyl]alanyl]-, methyl ester
SpectraBase Compound ID 93KcyEP0BW4
InChI InChI=1S/C21H31N3O5/c1-19(2,22-15(25)13-14-11-9-8-10-12-14)16(26)23-20(3,4)17(27)24-21(5,6)18(28)29-7/h8-12H,13H2,1-7H3,(H,22,25)(H,23,26)(H,24,27)
InChIKey SUSCWRUCQKSRAQ-UHFFFAOYSA-N
Mol Weight 405.5 g/mol
Molecular Formula C21H31N3O5
Exact Mass 405.226371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J30s5GJAnBH
Name Alanine, 2-methyl-N-[2-methyl-N-[2-methyl-N-(phenylacetyl)alanyl]alanyl]-, methyl ester
CAS Registry Number 77919-18-7
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Formula C21H31N3O5
InChI InChI=1S/C21H31N3O5/c1-19(2,22-15(25)13-14-11-9-8-10-12-14)16(26)23-20(3,4)17(27)24-21(5,6)18(28)29-7/h8-12H,13H2,1-7H3,(H,22,25)(H,23,26)(H,24,27)
InChIKey SUSCWRUCQKSRAQ-UHFFFAOYSA-N
Molecular Weight 405.495 g/mol
SMILES N(C(C(NC(C(NC(=O)Cc1ccccc1)(C)C)=O)(C)C)=O)C(C(=O)OC)(C)C
SPLASH splash10-0a4i-9220000000-99febf4c155c275d5680
Source of Spectrum H-70-114-21
Synonyms 2-Methyl-2-{2-methyl-2-[2-methyl-2-(2-phenylacetamido)propionamido]propionamido}propionic acid-methylester Methyl 2-methyl-2-{[2-methyl-2-({2-methyl-2-[(phenylacetyl)amino]propanoyl}amino)propanoyl]amino}propanoate
Wiley ID 1371734