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5-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-homoveratryl-amino]-5-keto-valeric acid
SpectraBase Compound ID IvebYboHANQ
InChI InChI=1S/C25H34N2O7/c1-6-34-25(31)24-16(2)19(17(3)26-24)15-27(22(28)8-7-9-23(29)30)13-12-18-10-11-20(32-4)21(14-18)33-5/h10-11,14,26H,6-9,12-13,15H2,1-5H3,(H,29,30)
InChIKey YXLXAPQWXUIWRP-UHFFFAOYSA-N
Mol Weight 474.6 g/mol
Molecular Formula C25H34N2O7
Exact Mass 474.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CHFOkVe4OFG
Name 5-[(5-carbethoxy-2,4-dimethyl-1H-pyrrol-3-yl)methyl-homoveratryl-amino]-5-keto-valeric acid
Alternate Name(s) 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxidanylidene-pentanoic acid 5-[2-(3,4-dimethoxyphenyl)ethyl-[(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methyl]amino]-5-oxo-pentanoic acid
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Formula C25H34N2O7
InChI InChI=1S/C25H34N2O7/c1-6-34-25(31)24-16(2)19(17(3)26-24)15-27(22(28)8-7-9-23(29)30)13-12-18-10-11-20(32-4)21(14-18)33-5/h10-11,14,26H,6-9,12-13,15H2,1-5H3,(H,29,30)
InChIKey YXLXAPQWXUIWRP-UHFFFAOYSA-N
Molecular Weight 474.554 g/mol
SMILES OC(CCCC(N(CCc1cc(c(cc1)OC)OC)Cc1c(C)[nH]c(C(=O)OCC)c1C)=O)=O
SPLASH splash10-001i-4900000000-69d8f796254c24d3f6fc
Wiley ID 1445262