L-tyrosyl-L-tyrosyl-L-alanine | SBID = 711 | 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: C21H25N3O6
M / g/mol: 415.4397
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-tyrosyl-L-tyrosyl-L-alanine
  • Preferred Abbreviation: L-tyrosyl-L-tyrosyl-L-alanine
  • IUPAC Name: L-tyrosyl-L-tyrosyl-L-alanine
  • CAS:
  • CID: -203
  • InChiKey: MWUYSCVVPVITMW-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H25N3O6/c1-12(21(29)30)23-20(28)18(11-14-4-8-16(26)9-5-14)24-19(27)17(22)10-13-2-6-15(25)7-3-13/h2-9,12,17-18,25-26H,10-11,22H2,1H3,(H,23,28)(H,24,27)(H,29,30)
  • CanoSmiles: Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)N
  • IsoSmiles: O=C(N[C@@H](CC1=CC=C(C=C1)O)C(N[C@@H](C)C(O)=O)=O)[C@H](CC2=CC=C(C=C2)O)N