(S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysinyl-(S)-serine | SBID = 2166 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 292.45
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -5.89
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C23H45N7O9
M / g/mol: 563.6449
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysinyl-(S)-serine
  • Preferred Abbreviation: KTTKS
  • IUPAC Name:
  • CAS:
  • CID: -952
  • InChiKey: LDWBQGACJJOIKA-UHFFFAOYSA-N
  • InChi: InChI=1S/C23H45N7O9/c1-12(32)17(30-22(37)18(13(2)33)29-19(34)14(26)7-3-5-9-24)21(36)27-15(8-4-6-10-25)20(35)28-16(11-31)23(38)39/h12-18,31-33H,3-11,24-26H2,1-2H3,(H,27,36)(H,28,35)(H,29,34)(H,30,37)(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)CO)CCCCN)[C@H](O)C)[C@H](O)C)N
  • IsoSmiles: OC[C@@H](C(O)=O)NC([C@H](CCCCN)NC([C@H]([C@H](O)C)NC([C@H]([C@H](O)C)NC([C@H](CCCCN)N)=O)=O)=O)=O