H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH | SBID = 1397 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 2
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 16.0
Number of H-Bond Acceptors: 18.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C40H66N14O9
M / g/mol: 887.040440000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide, typical guest
  • Name: H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH
  • Preferred Abbreviation: H-Leu-Arg-Arg-Trp-Ser-Leu-Gly-OH
  • IUPAC Name:
  • CAS:
  • CID: -509
  • InChiKey: MSFGAYLGJZPYIQ-UHFFFAOYSA-N
  • InChi: InChI=1S/C40H66N14O9/c1-21(2)15-25(41)33(58)50-27(11-7-13-46-39(42)43)35(60)51-28(12-8-14-47-40(44)45)36(61)53-30(17-23-18-48-26-10-6-5-9-24(23)26)37(62)54-31(20-55)38(63)52-29(16-22(3)4)34(59)49-19-32(56)57/h5-6,9-10,18,21-22,25,27-31,48,55H,7-8,11-17,19-20,41H2,1-4H3,(H,49,59)(H,50,58)(H,51,60)(H,52,63)(H,53,61)(H,54,62)(H,56,57)(H4,42,43,46)(H4,44,45,47)
  • CanoSmiles: OCC(C(=O)NC(C(=O)NCC(=O)O)CC(C)C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(NC(=O)C(NC(=O)C(CC(C)C)N)CCCNC(=N)N)CCCNC(=N)N
  • IsoSmiles: NC(CC(C)C)C(NC(CCCNC(N)=N)C(NC(CCCNC(N)=N)C(NC(CC1=CNC2=C1C=CC=C2)C(NC(CO)C(NC(CC(C)C)C(NC([H])C(O)=O)=O)=O)=O)=O)=O)=O