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N-(E)-stilbenyloxymethylcarbonyltryptophan methyl ester
SpectraBase Compound ID KRQnvh2ne1X
InChI InChI=1S/C28H26N2O4/c1-33-28(32)25(17-22-18-29-24-15-9-8-14-23(22)24)30-27(31)19-34-26(21-12-6-3-7-13-21)16-20-10-4-2-5-11-20/h2-16,18,25,29H,17,19H2,1H3,(H,30,31)/b26-16+/t25-/m0/s1
InChIKey NBPJMROTSPQSGQ-IPACTHBOSA-N
Mol Weight 454.53 g/mol
Molecular Formula C28H26N2O4
Exact Mass 454.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4xDVEdEkVvi
Name N-(E)-stilbenyloxymethylcarbonyltryptophan methyl ester
Alternate Name(s) Methyl (2S)-2-[({[(E)-1,2-diphenylethenyl]oxy}acetyl)amino]-3-(1H-indol-3-yl)propanoate
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Formula C28H26N2O4
InChI InChI=1S/C28H26N2O4/c1-33-28(32)25(17-22-18-29-24-15-9-8-14-23(22)24)30-27(31)19-34-26(21-12-6-3-7-13-21)16-20-10-4-2-5-11-20/h2-16,18,25,29H,17,19H2,1H3,(H,30,31)/b26-16+/t25-/m0/s1
InChIKey NBPJMROTSPQSGQ-IPACTHBOSA-N
Molecular Weight 454.526 g/mol
SMILES [nH]1c2c(c(C[C@@](C(=O)OC)(NC(=O)CO\C(=C\c3ccccc3)c3ccccc3)[H])c1)cccc2
SPLASH splash10-001i-0910000000-083f3f1763d69a3b51bb
Source of Spectrum O-29-347-0
Wiley ID 1388842