H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH | SBID = 1372 | 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: 17.0
Number of H-Bond Acceptors: 21.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C40H67N14O12P
M / g/mol: 967.020341000001
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide, typical guest
  • Name: H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH
  • Preferred Abbreviation: H-Leu-Arg-Arg-Trp-pSer-Leu-Gly-OH
  • IUPAC Name:
  • CAS:
  • CID: -497
  • InChiKey: YEEBCKBSDLLBKZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C40H67N14O12P/c1-21(2)15-25(41)33(57)50-27(11-7-13-46-39(42)43)35(59)51-28(12-8-14-47-40(44)45)36(60)53-30(17-23-18-48-26-10-6-5-9-24(23)26)37(61)54-31(20-66-67(63,64)65)38(62)52-29(16-22(3)4)34(58)49-19-32(55)56/h5-6,9-10,18,21-22,25,27-31,48H,7-8,11-17,19-20,41H2,1-4H3,(H,49,58)(H,50,57)(H,51,59)(H,52,62)(H,53,60)(H,54,61)(H,55,56)(H4,42,43,46)(H4,44,45,47)(H2,63,64,65)
  • CanoSmiles: CC(CC(C(=O)NCC(=O)O)NC(=O)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)COP(=O)(O)O)C
  • IsoSmiles: NC(CC(C)C)C(NC(CCCNC(N)=N)C(NC(CCCNC(N)=N)C(NC(CC1=CNC2=C1C=CC=C2)C(NC(COP(O)(O)=O)C(NC(CC(C)C)C(NC([H])C(O)=O)=O)=O)=O)=O)=O)=O