H-GGVKKPHY-NH2 | SBID = 1557 | 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: 3.0
Number of H-Bond Donors: 13.0
Number of H-Bond Acceptors: 15.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C41H68N13O9+++
M / g/mol: 887.060320000001
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: H-GGVKKPHY-NH2
  • Preferred Abbreviation: GGVKKPHY
  • IUPAC Name:
  • CAS:
  • CID: -615
  • InChiKey: GMFGKKSHVIHUOO-UHFFFAOYSA-Q
  • InChi: InChI=1S/C41H65N13O9/c1-24(2)35(52-34(57)22-47-33(56)20-44)40(62)50-28(8-3-5-15-42)37(59)51-29(9-4-6-16-43)41(63)54-17-7-10-32(54)39(61)53-38(60)31(19-26-21-46-23-48-26)49-30(36(45)58)18-25-11-13-27(55)14-12-25/h11-14,21,23-24,28-32,35,49,55H,3-10,15-20,22,42-44H2,1-2H3,(H2,45,58)(H,46,48)(H,47,56)(H,50,62)(H,51,59)(H,52,57)(H,53,60,61)/p+3
  • CanoSmiles: [NH3+]CCCCC(C(=O)N1CCCC1C(=O)NC(=O)C(NC(C(=O)N)Cc1ccc(cc1)O)Cc1nc[nH]c1)NC(=O)C(NC(=O)C(C(C)C)NC(=O)CNC(=O)C[NH3+])CCCC[NH3+]
  • IsoSmiles: [NH3+]C([H])C(NC([H])C(NC(C(C)C)C(NC(CCCC[NH3+])C(NC(CCCC[NH3+])C(N1C(CCC1)C(NC(C(NC(CC2=CC=C(O)C=C2)C(N)=O)CC3=CNC=N3)=O)=O)=O)=O)=O)=O)=O