L-Tyrosyl-L-Lysyl-L-Alanine | SBID = 710 | 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: 6.0
Number of H-Bond Acceptors: 9.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C18H28N4O5
M / g/mol: 380.43872
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-Tyrosyl-L-Lysyl-L-Alanine
  • Preferred Abbreviation: L-Tyrosyl-L-Lysyl-L-Alanine
  • IUPAC Name: L-tyrosyl-L-lysyl-L-alanine
  • CAS:
  • CID: -202
  • InChiKey: JAGGEZACYAAMIL-UHFFFAOYSA-N
  • InChi: InChI=1S/C18H28N4O5/c1-11(18(26)27)21-17(25)15(4-2-3-9-19)22-16(24)14(20)10-12-5-7-13(23)8-6-12/h5-8,11,14-15,23H,2-4,9-10,19-20H2,1H3,(H,21,25)(H,22,24)(H,26,27)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C)NC(=O)[C@H](Cc1ccc(cc1)O)N
  • IsoSmiles: O=C(N[C@@H](CCCCN)C(N[C@@H](C)C(O)=O)=O)[C@H](CC1=CC=C(C=C1)O)N