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2-[4-[[(2S,5S)-5-[4-(2-ethoxy-2-keto-ethoxy)benzyl]-3,6-diketo-piperazin-2-yl]methyl]phenoxy]acetic acid ethyl ester
SpectraBase Compound ID JpC2XGeRZ8Z
InChI InChI=1S/C26H30N2O8/c1-3-33-23(29)15-35-19-9-5-17(6-10-19)13-21-25(31)28-22(26(32)27-21)14-18-7-11-20(12-8-18)36-16-24(30)34-4-2/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,27,32)(H,28,31)/t21-,22-/m0/s1
InChIKey UPKQSUDWCFHFDV-VXKWHMMOSA-N
Mol Weight 498.53 g/mol
Molecular Formula C26H30N2O8
Exact Mass 498.200216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 42S41fjwuMp
Name 2-[4-[[(2S,5S)-5-[4-(2-ethoxy-2-keto-ethoxy)benzyl]-3,6-diketo-piperazin-2-yl]methyl]phenoxy]acetic acid ethyl ester
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Formula C26H30N2O8
InChI InChI=1S/C26H30N2O8/c1-3-33-23(29)15-35-19-9-5-17(6-10-19)13-21-25(31)28-22(26(32)27-21)14-18-7-11-20(12-8-18)36-16-24(30)34-4-2/h5-12,21-22H,3-4,13-16H2,1-2H3,(H,27,32)(H,28,31)/t21-,22-/m0/s1
InChIKey UPKQSUDWCFHFDV-VXKWHMMOSA-N
Molecular Weight 498.532 g/mol
SMILES N1[C@](C(N[C@](C1=O)(Cc1ccc(OCC(=O)OCC)cc1)[H])=O)(Cc1ccc(OCC(=O)OCC)cc1)[H]
SPLASH splash10-0a4l-4900100000-25ca9126293bbe4f0145
Source of Spectrum Y1-35-683-2
Synonyms 2-[4-[[(2S,5S)-5-[[4-(2-ethoxy-2-oxoethoxy)phenyl]methyl]-3,6-dioxo-2-piperazinyl]methyl]phenoxy]acetic acid ethyl ester Ethyl 2-[4-[[(2S,5S)-5-[[4-(2-ethoxy-2-oxidanylidene-ethoxy)phenyl]methyl]-3,6-bis(oxidanylidene)piperazin-2-yl]methyl]phenoxy]ethanoate Ethyl 2-[4-[[(2S,5S)-5-[[4-(2-ethoxy-2-oxo-ethoxy)phenyl]methyl]-3,6-dioxo-piperazin-2-yl]methyl]phenoxy]acetate
Wiley ID 1526789