H-GGVK(me3)KPHY-NH2 | SBID = 1558 | 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: 12.0
Number of H-Bond Acceptors: 16.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C44H74N13O9+++
M / g/mol: 929.140060000001
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: H-GGVK(me3)KPHY-NH2
  • Preferred Abbreviation: GGVK(me3)KPHY
  • IUPAC Name:
  • CAS:
  • CID: -616
  • InChiKey: DYMUEADKBWDTJQ-UHFFFAOYSA-Q
  • InChi: InChI=1S/C44H71N13O9/c1-27(2)38(54-37(61)25-49-36(60)23-46)43(65)52-31(11-7-9-20-57(3,4)5)41(63)53-32(12-6-8-18-45)44(66)56-19-10-13-35(59)40(56)55-42(64)34(22-29-24-48-26-50-29)51-33(39(47)62)21-28-14-16-30(58)17-15-28/h14-17,24,26-27,31-34,38,40,51H,6-13,18-23,25,45-46H2,1-5H3,(H8-,47,48,49,50,52,53,54,55,58,60,61,62,63,64,65)/p+3
  • CanoSmiles: [NH3+]CCCCC(C(=O)N1CCCC(=O)C1NC(=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[N+](C)(C)C
  • IsoSmiles: [NH3+]C([H])C(NC([H])C(NC(C(C)C)C(NC(CCCC[N+](C)(C)C)C(NC(CCCC[NH3+])C(N1C(NC(C(NC(CC2=CC=C(O)C=C2)C(N)=O)CC3=CNC=N3)=O)C(CCC1)=O)=O)=O)=O)=O)=O