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Alanine, N-[N-[N-(hydroxyphenylacetyl)-2-methylalanyl]-2-methylalanyl]-2-methyl-, (.+-.)-
SpectraBase Compound ID LcyPvZKDrGF
InChI InChI=1S/C20H29N3O6/c1-18(2,21-14(25)13(24)12-10-8-7-9-11-12)15(26)22-19(3,4)16(27)23-20(5,6)17(28)29/h7-11,13,24H,1-6H3,(H,21,25)(H,22,26)(H,23,27)(H,28,29)
InChIKey FQXKHQPBHKPUSB-UHFFFAOYSA-N
Mol Weight 407.47 g/mol
Molecular Formula C20H29N3O6
Exact Mass 407.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gy75Gfbcrk
Name Alanine, N-[N-[N-(hydroxyphenylacetyl)-2-methylalanyl]-2-methylalanyl]-2-methyl-, (.+-.)-
CAS Registry Number 112142-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29N3O6
InChI InChI=1S/C20H29N3O6/c1-18(2,21-14(25)13(24)12-10-8-7-9-11-12)15(26)22-19(3,4)16(27)23-20(5,6)17(28)29/h7-11,13,24H,1-6H3,(H,21,25)(H,22,26)(H,23,27)(H,28,29)
InChIKey FQXKHQPBHKPUSB-UHFFFAOYSA-N
Molecular Weight 407.467 g/mol
SMILES N(C(C(c1ccccc1)O)=O)C(C(NC(C(NC(C(=O)O)(C)C)=O)(C)C)=O)(C)C
SPLASH splash10-0a4i-9200000000-9918f07b22c6ffcc120f
Source of Spectrum H-70-337-19
Synonyms (+-)-2-{2-[2-(2-hydroxy-2-phenylacetamido)-2-methylpropionamido]-2-methylpropionamido}-2-methylpropionsaure N-{2-[(2-{[hydroxy(phenyl)acetyl]amino}-2-methylpropanoyl)amino]-2-methylpropanoyl}-2-methylalanine
Wiley ID 1372540