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L-(+)-N-(Benzyloxycarbonyl)-4-[3-(4-methoxyphenoxy)phenoxy[phenylalanine Methyl Ester
SpectraBase Compound ID DibIyKXgmkh
InChI InChI=1S/C31H29NO7/c1-35-24-15-17-26(18-16-24)39-28-10-6-9-27(20-28)38-25-13-11-22(12-14-25)19-29(30(33)36-2)32-31(34)37-21-23-7-4-3-5-8-23/h3-18,20,29H,19,21H2,1-2H3,(H,32,34)/t29-/m0/s1
InChIKey HAVGBPMEHGPXEB-LJAQVGFWSA-N
Mol Weight 527.57 g/mol
Molecular Formula C31H29NO7
Exact Mass 527.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 82YOtix80BB
Name L-(+)-N-(Benzyloxycarbonyl)-4-[3-(4-methoxyphenoxy)phenoxy[phenylalanine Methyl Ester
Alternate Name(s) Methyl (2S)-2-{[(benzyloxy)carbonyl]amino}-3-{4-[3-(4-methoxyphenoxy)phenoxy]phenyl}propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H29NO7
InChI InChI=1S/C31H29NO7/c1-35-24-15-17-26(18-16-24)39-28-10-6-9-27(20-28)38-25-13-11-22(12-14-25)19-29(30(33)36-2)32-31(34)37-21-23-7-4-3-5-8-23/h3-18,20,29H,19,21H2,1-2H3,(H,32,34)/t29-/m0/s1
InChIKey HAVGBPMEHGPXEB-LJAQVGFWSA-N
Molecular Weight 527.573 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@](C(=O)OC)(Cc1ccc(Oc2cc(Oc3ccc(cc3)OC)ccc2)cc1)[H]
SPLASH splash10-05fr-0509000000-4a208fbc4c6c67d355b0
Source of Spectrum J-57-3588-27
Wiley ID 1402968