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Proline, 1-[N-(N-carboxy-L-valyl)-L-tyrosyl]-, N-ethyl methyl ester, ethyl carbonate (ester), L-
SpectraBase Compound ID 4KLcGOXix9N
InChI InChI=1S/C26H37N3O9/c1-6-36-25(33)28-21(16(3)4)22(30)27-19(23(31)29-14-8-9-20(29)24(32)35-5)15-17-10-12-18(13-11-17)38-26(34)37-7-2/h10-13,16,19-21H,6-9,14-15H2,1-5H3,(H,27,30)(H,28,33)
InChIKey CNUQTCIJCMCUSX-UHFFFAOYSA-N
Mol Weight 535.6 g/mol
Molecular Formula C26H37N3O9
Exact Mass 535.25298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvokRPejpJO
Name Proline, 1-[N-(N-carboxy-L-valyl)-L-tyrosyl]-, N-ethyl methyl ester, ethyl carbonate (ester), L-
Alternate Name(s) Methyl 1-(2-((2-[(ethoxycarbonyl)amino]-3-methylbutanoyl)amino)-3-(4-[(ethoxycarbonyl)oxy]phenyl)propanoyl)-2-pyrrolidinecarboxylate 1-[2-[[2-(carbethoxyamino)-3-methyl-butanoyl]amino]-3-(4-carbethoxyoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid methyl ester 1-[2-[[2-(ethoxycarbonylamino)-3-methyl-1-oxobutyl]amino]-3-(4-ethoxycarbonyloxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl 1-[2-[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]-3-(4-ethoxycarbonyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate
CAS Registry Number 21026-93-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H37N3O9
InChI InChI=1S/C26H37N3O9/c1-6-36-25(33)28-21(16(3)4)22(30)27-19(23(31)29-14-8-9-20(29)24(32)35-5)15-17-10-12-18(13-11-17)38-26(34)37-7-2/h10-13,16,19-21H,6-9,14-15H2,1-5H3,(H,27,30)(H,28,33)
InChIKey CNUQTCIJCMCUSX-UHFFFAOYSA-N
Molecular Weight 535.594 g/mol
SMILES N(C(C(NC(Cc1ccc(cc1)OC(=O)OCC)C(N1CCCC1C(=O)OC)=O)=O)C(C)C)C(=O)OCC
SPLASH splash10-00kv-0963000000-2aa4757f6728d0a4d063
Source of Spectrum T-68-5261-0
Wiley ID 63968