(S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysine | SBID = 2165 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 243.12
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -4.58
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: C20H40N6O7
M / g/mol: 476.5676
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: (S)-Lysinyl-(S)-threoninyl-(S)-threoninyl-(S)-lysine
  • Preferred Abbreviation: KTTK
  • IUPAC Name:
  • CAS:
  • CID: -951
  • InChiKey: YPHJRIPMMFHJQN-UHFFFAOYSA-N
  • InChi: InChI=1S/C20H40N6O7/c1-11(27)15(18(30)24-14(20(32)33)8-4-6-10-22)26-19(31)16(12(2)28)25-17(29)13(23)7-3-5-9-21/h11-16,27-28H,3-10,21-23H2,1-2H3,(H,24,30)(H,25,29)(H,26,31)(H,32,33)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)[C@H](O)C)[C@H](O)C)N
  • IsoSmiles: NCCCC[C@@H](C(O)=O)NC([C@H]([C@H](O)C)NC([C@H]([C@H](O)C)NC([C@H](CCCCN)N)=O)=O)=O