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 Google Search
Mol Weight	518.7 g/mol
Molecular Formula	C27H42N4O6
Exact Mass	518.310435 g/mol

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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-
Alternate Name(s)	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
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
Wiley ID	1401671