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3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]propionamide
SpectraBase Compound ID 8Pv3mc9JXeS
InChI InChI=1S/C40H35N3O5/c44-37(23-18-29-16-20-34(21-17-29)48-28-31-12-6-2-7-13-31)41-25-24-38(45)42-33-19-22-36(43-39(46)26-30-10-4-1-5-11-30)35(27-33)40(47)32-14-8-3-9-15-32/h1-23,27H,24-26,28H2,(H,41,44)(H,42,45)(H,43,46)/b23-18+
InChIKey RTWHJFJKOLKBMY-PTGBLXJZSA-N
Mol Weight 637.7 g/mol
Molecular Formula C40H35N3O5
Exact Mass 637.257671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46oJup4m8cJ
Name 3-[[(E)-3-(4-benzoxyphenyl)acryloyl]amino]-N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]propionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H35N3O5
InChI InChI=1S/C40H35N3O5/c44-37(23-18-29-16-20-34(21-17-29)48-28-31-12-6-2-7-13-31)41-25-24-38(45)42-33-19-22-36(43-39(46)26-30-10-4-1-5-11-30)35(27-33)40(47)32-14-8-3-9-15-32/h1-23,27H,24-26,28H2,(H,41,44)(H,42,45)(H,43,46)/b23-18+
InChIKey RTWHJFJKOLKBMY-PTGBLXJZSA-N
Literature Reference DOI 10.1002/ardp.200300758
Molecular Weight 637.736 g/mol
SMILES N(C(\C=C\c1ccc(cc1)OCc1ccccc1)=O)CCC(Nc1cc(c(cc1)NC(=O)Cc1ccccc1)C(c1ccccc1)=O)=O
SPLASH splash10-0006-9054000000-3dd9956d59692a955093
Source of Spectrum APP-336-248-2
Synonyms N-[2-[3-Benzoyl-4-(phenylacetylamino)phenylcarbamoyl]ethyl]-3-(4-benzyloxyphenyl)-acrylamide N-[3-(phenylcarbonyl)-4-(2-phenylethanoylamino)phenyl]-3-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]propanamide N-[3-benzoyl-4-[(1-oxo-2-phenylethyl)amino]phenyl]-3-[[(E)-1-oxo-3-(4-phenylmethoxyphenyl)prop-2-enyl]amino]propanamide N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]-3-[[(E)-3-(4-benzyloxyphenyl)prop-2-enoyl]amino]propanamide (E)-N-(3-((3-benzoyl-4-(2-phenylacetamido)phenyl)amino)-3-oxopropyl)-3-(4-(benzyloxy)phenyl)acrylamide N-[3-benzoyl-4-[(2-phenylacetyl)amino]phenyl]-3-[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]propanamide
Wiley ID 1770710