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L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-phenylalanyl]-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-phenylalanyl]-, dimethyl ester
SpectraBase Compound ID 3HnHtupvMHU
InChI InChI=1S/C34H41F3N4O11S/c1-49-22-12-10-21(11-13-22)17-25(40-31(46)26(18-53-19-28(43)51-3)41-33(48)34(35,36)37)30(45)39-24(16-20-8-6-5-7-9-20)29(44)38-23(32(47)52-4)14-15-27(42)50-2/h5-13,23-26H,14-19H2,1-4H3,(H,38,44)(H,39,45)(H,40,46)(H,41,48)
InChIKey XYZMJFLBYVRDNH-UHFFFAOYSA-N
Mol Weight 770.8 g/mol
Molecular Formula C34H41F3N4O11S
Exact Mass 770.244464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5m7ZVvkehHT
Name L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-phenylalanyl]-, dimethyl ester
CAS Registry Number 69782-86-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H41F3N4O11S
InChI InChI=1S/C34H41F3N4O11S/c1-49-22-12-10-21(11-13-22)17-25(40-31(46)26(18-53-19-28(43)51-3)41-33(48)34(35,36)37)30(45)39-24(16-20-8-6-5-7-9-20)29(44)38-23(32(47)52-4)14-15-27(42)50-2/h5-13,23-26H,14-19H2,1-4H3,(H,38,44)(H,39,45)(H,40,46)(H,41,48)
InChIKey XYZMJFLBYVRDNH-UHFFFAOYSA-N
Molecular Weight 770.774 g/mol
SMILES N(C(C(NC(CCC(=O)OC)C(=O)OC)=O)Cc1ccccc1)C(C(Cc1ccc(cc1)OC)NC(C(CSCC(=O)OC)NC(C(F)(F)F)=O)=O)=O
SPLASH splash10-052o-5492200000-08932466eedb2882d04f
Source of Spectrum AB-207-251-2
Synonyms Trimethyl 10-benzyl-7-(4-methoxybenzyl)-5,8,11-trioxo-4-[(trifluoroacetyl)amino]-2-thia-6,9,12-triazapentadecane-1,13,15-tricarboxylate 2-[[2-[[2-[[3-[(2-keto-2-methoxy-ethyl)thio]-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]glutaric acid dimethyl ester 2-[[2-[[2-[[3-[(2-methoxy-2-oxoethyl)thio]-1-oxo-2-[(2,2,2-trifluoro-1-oxoethyl)amino]propyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]amino]-1-oxo-3-phenylpropyl]amino]pentanedioic acid dimethyl ester Dimethyl 2-[[2-[[2-[[3-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioate Dimethyl 2-[[2-[[2-[[3-(2-methoxy-2-oxo-ethyl)sulfanyl-2-[(2,2,2-trifluoroacetyl)amino]propanoyl]amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-phenyl-propanoyl]amino]pentanedioate
Wiley ID 1416711