GGWWGGY Heptapeptide | SBID = 2584 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 289.73
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): -0.93
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: C39H43N9O9
M / g/mol: 781.81362
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: GGWWGGY Heptapeptide
  • Preferred Abbreviation: GGWWGGY
  • IUPAC Name:
  • CAS:
  • CID: -1142
  • InChiKey: JNGDZHRDUDHUGN-UHFFFAOYSA-N
  • InChi: InChI=1S/C39H43N9O9/c40-16-33(50)43-20-35(52)46-31(15-24-18-42-29-8-4-2-6-27(24)29)38(55)48-30(14-23-17-41-28-7-3-1-5-26(23)28)37(54)45-19-34(51)44-21-36(53)47-32(39(56)57)13-22-9-11-25(49)12-10-22/h1-12,17-18,30-32,41-42,49H,13-16,19-21,40H2,(H,43,50)(H,44,51)(H,45,54)(H,46,52)(H,47,53)(H,48,55)(H,56,57)
  • CanoSmiles: NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2
  • IsoSmiles: NCC(NCC(N[C@@H](CC1=CNC2=C1C=CC=C2)C(N[C@@H](CC3=CNC4=C3C=CC=C4)C(NCC(NCC(N[C@H](C(O)=O)CC5=CC=C(O)C=C5)=O)=O)=O)=O)=O)=O