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2-((1-(1-(1-hydroxy-2-methylpropyl)carbonylamino)4-(4-methoxyphenyl)butyl)carbonylamino)ethenyl)carbonylamino)propanoic acid methyl ester
SpectraBase Compound ID 61IyTKxcJBu
InChI InChI=1S/C24H35N3O7/c1-14(2)20(28)23(31)27-19(9-7-8-17-10-12-18(33-5)13-11-17)22(30)25-15(3)21(29)26-16(4)24(32)34-6/h10-14,16,19-20,28H,3,7-9H2,1-2,4-6H3,(H,25,30)(H,26,29)(H,27,31)
InChIKey SGESLXVGXHVQOT-UHFFFAOYSA-N
Mol Weight 477.6 g/mol
Molecular Formula C24H35N3O7
Exact Mass 477.2475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWuHkoyI2AA
Name 2-((1-(1-(1-hydroxy-2-methylpropyl)carbonylamino)4-(4-methoxyphenyl)butyl)carbonylamino)ethenyl)carbonylamino)propanoic acid methyl ester
CAS Registry Number 65564-00-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35N3O7
InChI InChI=1S/C24H35N3O7/c1-14(2)20(28)23(31)27-19(9-7-8-17-10-12-18(33-5)13-11-17)22(30)25-15(3)21(29)26-16(4)24(32)34-6/h10-14,16,19-20,28H,3,7-9H2,1-2,4-6H3,(H,25,30)(H,26,29)(H,27,31)
InChIKey SGESLXVGXHVQOT-UHFFFAOYSA-N
Molecular Weight 477.558 g/mol
SMILES N(C(C(C(C)C)O)=O)C(C(NC(C(NC(C(=O)OC)C)=O)=C)=O)CCCc1ccc(cc1)OC
SPLASH splash10-052f-9511000000-a27fa6848de0bb32c4f4
Source of Spectrum KO-4-141-10
Synonyms L-Alanine, N-[2,3-didehydro-N-[N-(2-hydroxy-3-methyl-1-oxobutyl)-5-(4-methoxyphenyl)-L-norvalyl]alanyl]-, methyl ester, (S)- Am-toxin i-meoh Methyl 2-[(2-{[2-[(2-hydroxy-3-methylbutanoyl)amino]-5-(4-methoxyphenyl)pentanoyl]amino}acryloyl)amino]propanoate
Wiley ID 1394520