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N-Acetyl-N-allylglycine-phenylalanine - methyl ester
SpectraBase Compound ID EgzrZXMIfBf
InChI InChI=1S/C22H29N3O5/c1-5-12-24(17(3)26)16-21(28)25(13-6-2)15-20(27)23-19(22(29)30-4)14-18-10-8-7-9-11-18/h5-11,19H,1-2,12-16H2,3-4H3,(H,23,27)/t19-/m0/s1
InChIKey VRCHSWBWVLJZCQ-IBGZPJMESA-N
Mol Weight 415.49 g/mol
Molecular Formula C22H29N3O5
Exact Mass 415.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KtXyGoKMbc
Name N-Acetyl-N-allylglycine-phenylalanine - methyl ester
Alternate Name(s) (S)-2-(2-{[2-(Acetyl-allyl-amino)-acetyl]-allyl-amino}-acetylamino)-3-phenyl-propionic acid methyl ester (2S)-2-[[2-[[2-[acetyl(prop-2-enyl)amino]-1-oxoethyl]-prop-2-enylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester Methyl (2S)-2-[[2-[[2-[acetyl(prop-2-enyl)amino]acetyl]-prop-2-enylamino]acetyl]amino]-3-phenylpropanoate Methyl (2S)-2-[[2-[[2-[acetyl(allyl)amino]acetyl]-allyl-amino]acetyl]amino]-3-phenyl-propanoate Methyl (2S)-2-[2-[2-[ethanoyl(prop-2-enyl)amino]ethanoyl-prop-2-enyl-amino]ethanoylamino]-3-phenyl-propanoate
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Formula C22H29N3O5
InChI InChI=1S/C22H29N3O5/c1-5-12-24(17(3)26)16-21(28)25(13-6-2)15-20(27)23-19(22(29)30-4)14-18-10-8-7-9-11-18/h5-11,19H,1-2,12-16H2,3-4H3,(H,23,27)/t19-/m0/s1
InChIKey VRCHSWBWVLJZCQ-IBGZPJMESA-N
Molecular Weight 415.490 g/mol
SMILES N(C(CN(C(CN(C(=O)C)CC=C)=O)CC=C)=O)[C@](C(=O)OC)(Cc1ccccc1)[H]
SPLASH splash10-00di-0009400000-6671fdd70425ad25b926
Source of Spectrum SK-29-1031-7
Wiley ID 880442