L-methionyl-L-lysylglycylglycyl-L-tyrosine | SBID = 1193 | 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: C24H38N6O7S
M / g/mol: 554.65952
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: L-methionyl-L-lysylglycylglycyl-L-tyrosine
  • Preferred Abbreviation: L-methionyl-L-lysylglycylglycyl-L-tyrosine
  • IUPAC Name:
  • CAS:
  • CID: -386
  • InChiKey: VHEWBIRUCVJFQJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H38N6O7S/c1-38-11-9-17(26)22(34)30-18(4-2-3-10-25)23(35)28-13-20(32)27-14-21(33)29-19(24(36)37)12-15-5-7-16(31)8-6-15/h5-8,17-19,31H,2-4,9-14,25-26H2,1H3,(H,27,32)(H,28,35)(H,29,33)(H,30,34)(H,36,37)
  • CanoSmiles: NCCCC[C@@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](CCSC)N
  • IsoSmiles: N[C@H](C(N[C@@H](CCCCN)C(NCC(NCC(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)=O)=O)=O)CCSC