H-Lys-Leu-Val-Phe-Phe-OH | SBID = 1517 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 7.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C35H52N6O6
M / g/mol: 652.82398
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest, amino acid
  • Name: H-Lys-Leu-Val-Phe-Phe-OH
  • Preferred Abbreviation: KLVFF
  • IUPAC Name:
  • CAS:
  • CID: -588
  • InChiKey: SICITCLFXRGKJW-UHFFFAOYSA-N
  • InChi: InChI=1S/C35H52N6O6/c1-22(2)19-27(38-31(42)26(37)17-11-12-18-36)33(44)41-30(23(3)4)34(45)39-28(20-24-13-7-5-8-14-24)32(43)40-29(35(46)47)21-25-15-9-6-10-16-25/h5-10,13-16,22-23,26-30H,11-12,17-21,36-37H2,1-4H3,(H,38,42)(H,39,45)(H,40,43)(H,41,44)(H,46,47)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)N
  • IsoSmiles: NCCCC[C@H](N)C(N[C@@H](CC(C)C)C(N[C@@H](C(C)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H](CC2=CC=CC=C2)C(O)=O)=O)=O)=O)=O