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L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-isoleucyl]-, 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-isoleucyl]-, dimethyl ester
SpectraBase Compound ID I0EKX0zRMo2
InChI InChI=1S/C31H43F3N4O11S/c1-7-17(2)25(28(43)35-20(29(44)49-6)12-13-23(39)47-4)38-26(41)21(14-18-8-10-19(46-3)11-9-18)36-27(42)22(15-50-16-24(40)48-5)37-30(45)31(32,33)34/h8-11,17,20-22,25H,7,12-16H2,1-6H3,(H,35,43)(H,36,42)(H,37,45)(H,38,41)
InChIKey UXQPUUFCBDMKIO-UHFFFAOYSA-N
Mol Weight 736.8 g/mol
Molecular Formula C31H43F3N4O11S
Exact Mass 736.260114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kJwxcx7ft1
Name L-Glutamic acid, N-[N-[N-[S-(2-methoxy-2-oxoethyl)-N-(trifluoroacetyl)-L-cysteinyl]-O-methyl-L-tyrosyl]-L-isoleucyl]-, dimethyl ester
CAS Registry Number 69782-85-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H43F3N4O11S
InChI InChI=1S/C31H43F3N4O11S/c1-7-17(2)25(28(43)35-20(29(44)49-6)12-13-23(39)47-4)38-26(41)21(14-18-8-10-19(46-3)11-9-18)36-27(42)22(15-50-16-24(40)48-5)37-30(45)31(32,33)34/h8-11,17,20-22,25H,7,12-16H2,1-6H3,(H,35,43)(H,36,42)(H,37,45)(H,38,41)
InChIKey UXQPUUFCBDMKIO-UHFFFAOYSA-N
Molecular Weight 736.757 g/mol
SMILES N(C(CCC(=O)OC)C(=O)OC)C(C(C(C)CC)NC(C(Cc1ccc(cc1)OC)NC(C(CSCC(=O)OC)NC(C(F)(F)F)=O)=O)=O)=O
SPLASH splash10-0v4u-3390400000-a33f52f9d8bad2aa7486
Source of Spectrum AB-207-251-3
Synonyms Trimethyl 10-sec-butyl-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-methyl-pentanoyl]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]-3-methyl-1-oxopentyl]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-methyl-pentanoyl]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-methyl-pentanoyl]amino]pentanedioate
Wiley ID 1416033