Lys-Ala-Trp-Ala-Ala | SBID = 1238 | 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:
  • Name: Lys-Ala-Trp-Ala-Ala
  • Preferred Abbreviation: Lys-Ala-Trp-Ala-Ala
  • IUPAC Name:
  • CAS:
  • CID: -410
  • InChiKey: OHSOSPMOTTUOLC-UHFFFAOYSA-N
  • InChi: InChI=1S/C26H39N7O6/c1-14(22(34)32-16(3)26(38)39)31-25(37)21(12-17-13-29-20-10-5-4-8-18(17)20)33-23(35)15(2)30-24(36)19(28)9-6-7-11-27/h4-5,8,10,13-16,19,21,29H,6-7,9,11-12,27-28H2,1-3H3,(H,30,36)(H,31,37)(H,32,34)(H,33,35)(H,38,39)
  • 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)C)C)Cc1c[nH]c2c1cccc2)C)N
  • IsoSmiles: N[C@@H](CCCCN)C(N[C@H](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)C)=O