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L-Valine, N-[N-(1-alloisoleucyl-L-prolyl)-N-methylglycyl]-N-methyl-, methyl ester
SpectraBase Compound ID BmBgqtXPFgl
InChI InChI=1S/C21H38N4O5/c1-8-14(4)17(22)20(28)25-11-9-10-15(25)19(27)23(5)12-16(26)24(6)18(13(2)3)21(29)30-7/h13-15,17-18H,8-12,22H2,1-7H3
InChIKey SXJNYUVQJYKTHH-UHFFFAOYSA-N
Mol Weight 426.6 g/mol
Molecular Formula C21H38N4O5
Exact Mass 426.28422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID U6RFKnQjQ
Name L-Valine, N-[N-(1-alloisoleucyl-L-prolyl)-N-methylglycyl]-N-methyl-, methyl ester
Alternate Name(s) Methyl 2-[([([1-(2-amino-3-methylpentanoyl)-2-pyrrolidinyl]carbonyl)(methyl)amino]acetyl)(methyl)amino]-3-methylbutanoate 2-[[2-[[1-(2-amino-3-methyl-pentanoyl)prolyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butyric acid methyl ester 2-[[2-[[[1-(2-amino-3-methyl-1-oxopentyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]-methylamino]-3-methylbutanoic acid methyl ester Methyl 2-[2-[[1-(2-azanyl-3-methyl-pentanoyl)pyrrolidin-2-yl]carbonyl-methyl-amino]ethanoyl-methyl-amino]-3-methyl-butanoate Methyl 2-[[2-[[1-(2-amino-3-methyl-pentanoyl)pyrrolidine-2-carbonyl]-methyl-amino]acetyl]-methyl-amino]-3-methyl-butanoate
CAS Registry Number 55555-43-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H38N4O5
InChI InChI=1S/C21H38N4O5/c1-8-14(4)17(22)20(28)25-11-9-10-15(25)19(27)23(5)12-16(26)24(6)18(13(2)3)21(29)30-7/h13-15,17-18H,8-12,22H2,1-7H3
InChIKey SXJNYUVQJYKTHH-UHFFFAOYSA-N
Molecular Weight 426.558 g/mol
SMILES NC(C(N1C(C(N(CC(N(C(C(OC)=O)C(C)C)C)=O)C)=O)CCC1)=O)C(CC)C
SPLASH splash10-0gxx-0900000000-a9c2ff42db9caa168359
Source of Spectrum T-67-4226-0
Wiley ID 59110