L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine | SBID = 1194 | 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: 13.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C25H40N6O7S
M / g/mol: 568.6861
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine
  • Preferred Abbreviation: L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine
  • IUPAC Name:
  • CAS:
  • CID: -387
  • InChiKey: IFTSUBSPNLKFLQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C25H40N6O7S/c1-15(29-24(36)19(5-3-4-11-26)31-23(35)18(27)10-12-39-2)22(34)28-14-21(33)30-20(25(37)38)13-16-6-8-17(32)9-7-16/h6-9,15,18-20,32H,3-5,10-14,26-27H2,1-2H3,(H,28,34)(H,29,36)(H,30,33)(H,31,35)(H,37,38)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)C)NC(=O)[C@H](CCSC)N
  • IsoSmiles: N[C@H](C(N[C@@H](CCCCN)C(N[C@H](C(NCC(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)=O)C)=O)=O)CCSC