L-Valine, N-[N-[1-(N-formyl-L-isoleucyl)-L-prolyl]-N-methylglycyl]-N-methyl-, methyl ester

SpectraBase Compound ID	KPKepzvjJP1
InChI	InChI=1S/C22H38N4O6/c1-8-15(4)18(23-13-27)21(30)26-11-9-10-16(26)20(29)24(5)12-17(28)25(6)19(14(2)3)22(31)32-7/h13-16,18-19H,8-12H2,1-7H3,(H,23,27)
InChIKey	SNVFEVXQUNOWLS-UHFFFAOYSA-N Google Search
Mol Weight	454.6 g/mol
Molecular Formula	C22H38N4O6
Exact Mass	454.279135 g/mol

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SpectraBase Spectrum ID	HcoQ98VL3md
Name	L-Valine, N-[N-[1-(N-formyl-L-isoleucyl)-L-prolyl]-N-methylglycyl]-N-methyl-, methyl ester
Alternate Name(s)	Methyl 2-[([((1-[2-(formylamino)-3-methylpentanoyl]-2-pyrrolidinyl)carbonyl)(methyl)amino]acetyl)(methyl)amino]-3-methylbutanoate 2-[[2-[[1-(2-formamido-3-methyl-pentanoyl)prolyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butyric acid methyl ester 2-[[2-[[[1-(2-formamido-3-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]-3-methylbutanoic acid methyl ester Methyl 2-[2-[[1-(2-formamido-3-methyl-pentanoyl)pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]-3-methyl-butanoate Methyl 2-[[2-[[1-(2-formamido-3-methyl-pentanoyl)pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butanoate
CAS Registry Number	55821-22-2
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H38N4O6
InChI	InChI=1S/C22H38N4O6/c1-8-15(4)18(23-13-27)21(30)26-11-9-10-16(26)20(29)24(5)12-17(28)25(6)19(14(2)3)22(31)32-7/h13-16,18-19H,8-12H2,1-7H3,(H,23,27)
InChIKey	SNVFEVXQUNOWLS-UHFFFAOYSA-N
Molecular Weight	454.568 g/mol
SMILES	N(C(C(=O)N1C(C(N(CC(N(C(C(OC)=O)C(C)C)C)=O)C)=O)CCC1)C(CC)C)C=O
SPLASH	splash10-01p9-3952100000-478ed0cc7097ddba354c
Source of Spectrum	T-67-4366-0
Wiley ID	1388711