Cas no 109163-69-1 (N-Caffeoyltryptophan)

N-Caffeoyltryptophan structure
N-Caffeoyltryptophan structure
Product Name:N-Caffeoyltryptophan
CAS No:109163-69-1
MF:C20H18N2O5
MW:366.3673
CID:4723934
PubChem ID:10428959
Update Time:2024-11-07

N-Caffeoyltryptophan Chemical and Physical Properties

Names and Identifiers

    • caffeoyltryptophan
    • caffeoyl tryptophan
    • BDBM50492017
    • L-Tryptophan, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-
    • D9G5AEW898
    • CS-0253671
    • 112924-44-4
    • L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-
    • N-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-L-tryptophan
    • AKOS040763824
    • HY-N10002
    • CHEMBL2392128
    • DTXSID601315939
    • C20H18N2O5
    • (2S)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(1H-indol-3-yl)propanoic acid
    • 109163-69-1
    • L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-, (E)-
    • N-(E)-CAFFEOYL-.LAMBDA.-TRYPTOPHAN
    • trans-Caffeoyl-L-tryptophan
    • CHEMBL3969626
    • 2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic Acid
    • N-Caffeoyltryptophan
    • SCHEMBL1711556
    • 2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(1H-indol-3-yl)propanoic acid
    • BDBM50193046
    • CHEBI:175694
    • SCHEMBL22557392
    • (2S)-2-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid
    • TS-10209
    • (2S)-2-(((E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)amino)-3-(1H-indol-3-yl)propanoic acid
    • Inchi: 1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+/t16-/m0/s1
    • InChI Key: XITPERBRJNUFSB-BVBGJJFLSA-N
    • SMILES: O([H])C([C@]([H])(C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12)N([H])C(/C(/[H])=C(\[H])/C1C([H])=C([H])C(=C(C=1[H])O[H])O[H])=O)=O

Computed Properties

  • Exact Mass: 366.12157168 g/mol
  • Monoisotopic Mass: 366.12157168 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 6
  • Complexity: 567
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 123
  • Molecular Weight: 366.4

N-Caffeoyltryptophan Pricemore >>

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