Ala-Lys-Trp-Ala-Ala | SBID = 1239 | 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: 8.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C26H39N7O6
M / g/mol: 545.63116
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: Ala-Lys-Trp-Ala-Ala
  • Preferred Abbreviation: Ala-Lys-Trp-Ala-Ala
  • IUPAC Name:
  • CAS:
  • CID: -411
  • InChiKey: CKNHQPNMWDRFAL-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H39N7O6/c1-14(28)22(34)32-20(10-6-7-11-27)24(36)33-21(12-17-13-29-19-9-5-4-8-18(17)19)25(37)30-15(2)23(35)31-16(3)26(38)39/h4-5,8-9,13-16,20-21,29H,6-7,10-12,27-28H2,1-3H3,(H,30,37)(H,31,35)(H,32,34)(H,33,36)(H,38,39)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)C)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](N)C
  • IsoSmiles: C[C@H](N)C(N[C@@H](CCCCN)C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)C)=O)C)=O)CC1=CNC2=C1C=CC=C2)=O)=O