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L-Serine, N-[N-[N-(2-methoxybenzoyl)-.beta.-alanyl]glycyl]-, methyl ester
SpectraBase Compound ID Gfs77dxHAab
InChI InChI=1S/C17H23N3O7/c1-26-13-6-4-3-5-11(13)16(24)18-8-7-14(22)19-9-15(23)20-12(10-21)17(25)27-2/h3-6,12,21H,7-10H2,1-2H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKey SNPWTOVWNWGOFM-LBPRGKRZSA-N
Mol Weight 381.39 g/mol
Molecular Formula C17H23N3O7
Exact Mass 381.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I06kR2VpCxh
Name L-Serine, N-[N-[N-(2-methoxybenzoyl)-.beta.-alanyl]glycyl]-, methyl ester
Alternate Name(s) Methyl (2S)-3-hydroxy-2-{[({3-[(2-methoxybenzoyl)amino]propanoyl}amino)acetyl]amino}propanoate N-(o-methoxybenzoyl)-.beta.alanyl-glycyl-L-serine methyl ester
CAS Registry Number 118744-45-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23N3O7
InChI InChI=1S/C17H23N3O7/c1-26-13-6-4-3-5-11(13)16(24)18-8-7-14(22)19-9-15(23)20-12(10-21)17(25)27-2/h3-6,12,21H,7-10H2,1-2H3,(H,18,24)(H,19,22)(H,20,23)/t12-/m0/s1
InChIKey SNPWTOVWNWGOFM-LBPRGKRZSA-N
Molecular Weight 381.385 g/mol
SMILES N(C(c1c(OC)cccc1)=O)CCC(NCC(N[C@@](CO)(C(=O)OC)[H])=O)=O
SPLASH splash10-000i-3912000000-404a76b6d14540a39872
Source of Spectrum H-71-1539-7
Wiley ID 1360104