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L-Tyrosyl-L-Phenylalanyl-L-alanine | SBID = 712 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 5.0
Number of H-Bond Acceptors: 8.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C21H25N3O5
M / g/mol: 399.4403
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-Tyrosyl-L-Phenylalanyl-L-alanine
  • Preferred Abbreviation: Tyr-Phe-Ala
  • IUPAC Name: L-tyrosyl-L-phenylalanyl-L-alanine
  • CAS:
  • CID: -204
  • InChiKey: WTTRJMAZPDHPGS-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H25N3O5/c1-13(21(28)29)23-20(27)18(12-14-5-3-2-4-6-14)24-19(26)17(22)11-15-7-9-16(25)10-8-15/h2-10,13,17-18,25H,11-12,22H2,1H3,(H,23,27)(H,24,26)(H,28,29)
  • CanoSmiles: O=C([C@H](Cc1ccc(cc1)O)N)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1
  • IsoSmiles: O=C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](C)C(O)=O)=O)[C@H](CC2=CC=C(C=C2)O)N