H-Lys-Lys-Leu-Val-Phe-Phe-Ala-Lys-OH | SBID = 1520 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 12.0
Number of H-Bond Acceptors: 20.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C50H81N11O9
M / g/mol: 980.246440000001
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: H-Lys-Lys-Leu-Val-Phe-Phe-Ala-Lys-OH
  • Preferred Abbreviation: KKLVFFAK
  • IUPAC Name:
  • CAS:
  • CID: -590
  • InChiKey: AIXGNJPXUOWVMO-UHFFFAOYSA-N
  • InChi: InChI=1S/C50H81N11O9/c1-31(2)28-39(58-45(64)37(23-13-16-26-52)56-44(63)36(54)22-12-15-25-51)48(67)61-42(32(3)4)49(68)60-41(30-35-20-10-7-11-21-35)47(66)59-40(29-34-18-8-6-9-19-34)46(65)55-33(5)43(62)57-38(50(69)70)24-14-17-27-53/h6-11,18-21,31-33,36-42H,12-17,22-30,51-54H2,1-5H3,(H,55,65)(H,56,63)(H,57,62)(H,58,64)(H,59,66)(H,60,68)(H,61,67)(H,69,70)
  • CanoSmiles: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)C)Cc1ccccc1)Cc1ccccc1)C(C)C)CC(C)C)NC(=O)[C@H](CCCCN)N
  • IsoSmiles: O=C([C@@H](N)CCCCN)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(O)=O)CCCCN)=O)C)=O)CC1=CC=CC=C1)=O)CC2=CC=CC=C2)=O)C(C)C)=O)CC(C)C)=O)CCCCN