H-Lys-Lys-Leu-Val-Phe-Phe-OH | SBID = 1518 | 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: 9.0
Number of H-Bond Acceptors: 15.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C41H64N8O7
M / g/mol: 780.99626
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide, typical guest
  • Name: H-Lys-Lys-Leu-Val-Phe-Phe-OH
  • Preferred Abbreviation: KKLVFF
  • IUPAC Name:
  • CAS:
  • CID: -589
  • InChiKey: ZENPRSWKFVGYNN-UHFFFAOYSA-N
  • InChi: InChI=1S/C41H64N8O7/c1-26(2)23-32(46-37(51)31(20-12-14-22-43)45-36(50)30(44)19-11-13-21-42)39(53)49-35(27(3)4)40(54)47-33(24-28-15-7-5-8-16-28)38(52)48-34(41(55)56)25-29-17-9-6-10-18-29/h5-10,15-18,26-27,30-35H,11-14,19-25,42-44H2,1-4H3,(H,45,50)(H,46,51)(H,47,54)(H,48,52)(H,49,53)(H,55,56)
  • 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)NC(=O)[C@H](CCCCN)N
  • IsoSmiles: O=C([C@H](CCCCN)N)N[C@@H](CCCCN)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