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Methyl 1-(8-(4-[(ethoxycarbonyl)amino]butyl)-2-(4-[(ethoxycarbonyl)oxy]benzyl)-5,11-diisopropyl-4,7,10,13-tetraoxo-14-oxa-3,6,9,12-tetraazahexadec-1-anoyl)-2-pyrrolidinecarboxylate

View entire compound with spectra: 1 MS (GC)

Methyl 1-(8-(4-[(ethoxycarbonyl)amino]butyl)-2-(4-[(ethoxycarbonyl)oxy]benzyl)-5,11-diisopropyl-4,7,10,13-tetraoxo-14-oxa-3,6,9,12-tetraazahexadec-1-anoyl)-2-pyrrolidinecarboxylate
SpectraBase Compound ID HyVE1iGI1f0
InChI InChI=1S/C40H62N6O13/c1-9-56-38(52)41-21-13-12-15-28(42-35(49)32(25(6)7)45-39(53)57-10-2)33(47)44-31(24(4)5)34(48)43-29(36(50)46-22-14-16-30(46)37(51)55-8)23-26-17-19-27(20-18-26)59-40(54)58-11-3/h17-20,24-25,28-32H,9-16,21-23H2,1-8H3,(H,41,52)(H,42,49)(H,43,48)(H,44,47)(H,45,53)
InChIKey HNZHUAXJXIGTQM-UHFFFAOYSA-N
Mol Weight 835.0 g/mol
Molecular Formula C40H62N6O13
Exact Mass 834.437486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ge7LxoezZ60
Name Methyl 1-(8-(4-[(ethoxycarbonyl)amino]butyl)-2-(4-[(ethoxycarbonyl)oxy]benzyl)-5,11-diisopropyl-4,7,10,13-tetraoxo-14-oxa-3,6,9,12-tetraazahexadec-1-anoyl)-2-pyrrolidinecarboxylate
Alternate Name(s) 1-[2-[[2-[[6-(carbethoxyamino)-2-[[2-(carbethoxyamino)-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-carbethoxyoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid methyl ester 1-[2-[[2-[[6-(ethoxycarbonylamino)-2-[[2-(ethoxycarbonylamino)-3-methyl-1-oxobutyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-(4-ethoxycarbonyloxyphenyl)-1-oxopropyl]-2-pyrrolidinecarboxylic acid methyl ester Methyl 1-[2-[[2-[[6-(ethoxycarbonylamino)-2-[[2-(ethoxycarbonylamino)-3-methyl-butanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-(4-ethoxycarbonyloxyphenyl)propanoyl]pyrrolidine-2-carboxylate Proline, 1-[N-[N-[N6-carboxy-N2-(N-carboxy-L-valyl)-L-lysyl]-L-valyl]-L-tyrosyl]-, N,N6-diethyl methyl ester, ethyl carbamate (ester), L-
CAS Registry Number 21178-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H62N6O13
InChI InChI=1S/C40H62N6O13/c1-9-56-38(52)41-21-13-12-15-28(42-35(49)32(25(6)7)45-39(53)57-10-2)33(47)44-31(24(4)5)34(48)43-29(36(50)46-22-14-16-30(46)37(51)55-8)23-26-17-19-27(20-18-26)59-40(54)58-11-3/h17-20,24-25,28-32H,9-16,21-23H2,1-8H3,(H,41,52)(H,42,49)(H,43,48)(H,44,47)(H,45,53)
InChIKey HNZHUAXJXIGTQM-UHFFFAOYSA-N
Molecular Weight 834.965 g/mol
SMILES N(CCCCC(C(NC(C(NC(Cc1ccc(cc1)OC(=O)OCC)C(N1CCCC1C(=O)OC)=O)=O)C(C)C)=O)NC(C(C(C)C)NC(=O)OCC)=O)C(=O)OCC
SPLASH splash10-0fg2-0259301000-4517f9ec9761210e6878
Source of Spectrum T-68-5916-0
Wiley ID 1417572