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Alanine, N-[N-[N-(3-phenyl-N-propionyl-L-alanyl)-L-valyl]-L-leucyl]-, methyl ester, L-
SpectraBase Compound ID 2sEjBFRaTKV
InChI InChI=1S/C27H42N4O6/c1-8-22(32)29-21(15-19-12-10-9-11-13-19)25(34)31-23(17(4)5)26(35)30-20(14-16(2)3)24(33)28-18(6)27(36)37-7/h9-13,16-18,20-21,23H,8,14-15H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)(H,31,34)
InChIKey BAIRFIBQXUHMRS-UHFFFAOYSA-N
Mol Weight 518.7 g/mol
Molecular Formula C27H42N4O6
Exact Mass 518.310435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A7VgIytXPQW
Name Alanine, N-[N-[N-(3-phenyl-N-propionyl-L-alanyl)-L-valyl]-L-leucyl]-, methyl ester, L-
CAS Registry Number 19526-15-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H42N4O6
InChI InChI=1S/C27H42N4O6/c1-8-22(32)29-21(15-19-12-10-9-11-13-19)25(34)31-23(17(4)5)26(35)30-20(14-16(2)3)24(33)28-18(6)27(36)37-7/h9-13,16-18,20-21,23H,8,14-15H2,1-7H3,(H,28,33)(H,29,32)(H,30,35)(H,31,34)
InChIKey BAIRFIBQXUHMRS-UHFFFAOYSA-N
Molecular Weight 518.655 g/mol
SMILES N(C(C(NC(C(NC(C(NC(C)C(=O)OC)=O)CC(C)C)=O)C(C)C)=O)Cc1ccccc1)C(CC)=O
SPLASH splash10-01b9-9863320000-346adeb6ce6973c1edfc
Source of Spectrum O-5-27-4
Synonyms Methyl 11-benzyl-5-isobutyl-8-isopropyl-2-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oate 2-[[4-methyl-2-[[3-methyl-1-oxo-2-[[1-oxo-2-(1-oxopropylamino)-3-phenylpropyl]amino]butyl]amino]-1-oxopentyl]amino]propanoic acid methyl ester 2-[[4-methyl-2-[[3-methyl-2-[(3-phenyl-2-propionamido-propanoyl)amino]butanoyl]amino]pentanoyl]amino]propionic acid methyl ester Methyl 2-[[4-methyl-2-[[3-methyl-2-[[3-phenyl-2-(propanoylamino)propanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoate
Wiley ID 1401671