H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH | SBID = 1399 | 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: 22.0
Number of H-Bond Acceptors: 25.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C51H90N19O13P
M / g/mol: 1208.353561
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide, typical guest
  • Name: H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH
  • Preferred Abbreviation: H-Trp-Lys-Arg-pThr-Leu-Arg-Arg-Leu-OH
  • IUPAC Name:
  • CAS:
  • CID: -511
  • InChiKey: SMPDOOKQRDJOLP-UHFFFAOYSA-N
  • InChi: InChI=1S/C51H90N19O13P/c1-27(2)23-38(46(76)67-35(16-10-20-60-49(54)55)43(73)65-36(17-11-21-61-50(56)57)44(74)69-39(48(78)79)24-28(3)4)68-47(77)40(29(5)83-84(80,81)82)70-45(75)37(18-12-22-62-51(58)59)66-42(72)34(15-8-9-19-52)64-41(71)32(53)25-30-26-63-33-14-7-6-13-31(30)33/h6-7,13-14,26-29,32,34-40,63H,8-12,15-25,52-53H2,1-5H3,(H,64,71)(H,65,73)(H,66,72)(H,67,76)(H,68,77)(H,69,74)(H,70,75)(H,78,79)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)(H2,80,81,82)
  • CanoSmiles: NCCCCC(C(=O)NC(C(=O)NC([C@@H](OP(=O)(O)O)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O)CC(C)C)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)CCCNC(=N)N)NC(=O)C(Cc1c[nH]c2c1cccc2)N
  • IsoSmiles: NC(CC1=CNC2=C1C=CC=C2)C(NC(CCCCN)C(NC(CCCNC(N)=N)C(NC([C@@H](OP(O)(O)=O)C)C(NC(CC(C)C)C(NC(CCCNC(N)=N)C(NC(CCCNC(N)=N)C(NC(CC(C)C)C(O)=O)=O)=O)=O)=O)=O)=O)=O