For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID J30s5GJAnBH
Name Alanine, 2-methyl-N-[2-methyl-N-[2-methyl-N-(phenylacetyl)alanyl]alanyl]-, methyl ester
Alternate Name(s) 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
CAS Registry Number 77919-18-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Wiley ID 1371734