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1-((1-methoxycarbonylethyl)aminocarbonyl)-1-((4-(p-hydroxyphenyl)-1-((1-hydroxy-2-methylpropyl)carbonylamino)butyl)carbonylamino)ethene
SpectraBase Compound ID 9PNfKbNkSKw
InChI InChI=1S/C23H33N3O7/c1-13(2)19(28)22(31)26-18(8-6-7-16-9-11-17(27)12-10-16)21(30)24-14(3)20(29)25-15(4)23(32)33-5/h9-13,15,18-19,27-28H,3,6-8H2,1-2,4-5H3,(H,24,30)(H,25,29)(H,26,31)
InChIKey QXDLTMLHBZXLNQ-UHFFFAOYSA-N
Mol Weight 463.5 g/mol
Molecular Formula C23H33N3O7
Exact Mass 463.23185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Rg0StV73o
Name 1-((1-methoxycarbonylethyl)aminocarbonyl)-1-((4-(p-hydroxyphenyl)-1-((1-hydroxy-2-methylpropyl)carbonylamino)butyl)carbonylamino)ethene
CAS Registry Number 57765-95-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H33N3O7
InChI InChI=1S/C23H33N3O7/c1-13(2)19(28)22(31)26-18(8-6-7-16-9-11-17(27)12-10-16)21(30)24-14(3)20(29)25-15(4)23(32)33-5/h9-13,15,18-19,27-28H,3,6-8H2,1-2,4-5H3,(H,24,30)(H,25,29)(H,26,31)
InChIKey QXDLTMLHBZXLNQ-UHFFFAOYSA-N
Molecular Weight 463.531 g/mol
SMILES N(C(C(C(C)C)O)=O)C(CCCc1ccc(cc1)O)C(NC(C(NC(C(=O)OC)C)=O)=C)=O
SPLASH splash10-01ox-8921000000-5a1b8a862047758dade8
Source of Spectrum KO-4-141-12
Synonyms L-Alanine, N-[2,3-didehydro-N-[N-(2-hydroxy-3-methyl-1-oxobutyl)-5-(4-hydroxyphenyl)-L-norvalyl]alanyl]-, methyl ester, (S)- Am-toxin III-meoh Methyl 2-[(2-{[2-[(2-hydroxy-3-methylbutanoyl)amino]-5-(4-hydroxyphenyl)pentanoyl]amino}acryloyl)amino]propanoate
Wiley ID 1391296