Ac-RKST-NH2 | SBID = 1020 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 3
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: 14.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C21H41N9O7
M / g/mol: 531.60634
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide, typical guest
  • Name: Ac-RKST-NH2
  • Preferred Abbreviation: RKST
  • IUPAC Name:
  • CAS:
  • CID: -324
  • InChiKey: FCIFZKPEULFUGT-UHFFFAOYSA-N
  • InChi: InChI=1S/C21H41N9O7/c1-11(32)16(17(23)34)30-20(37)15(10-31)29-19(36)14(6-3-4-8-22)28-18(35)13(27-12(2)33)7-5-9-26-21(24)25/h11,13-16,31-32H,3-10,22H2,1-2H3,(H2,23,34)(H,27,33)(H,28,35)(H,29,36)(H,30,37)(H4,24,25,26)
  • CanoSmiles: NCCCCC(C(=O)NC(C(=O)NC(C(=O)N)[C@H](O)C)CO)NC(=O)C(NC(=O)C)CCCNC(=N)N
  • IsoSmiles: O=C(NC(CCCCN)C(NC(CO)C(NC([C@@H](C)O)C(N)=O)=O)=O)C(CCCNC(N)=N)NC(C)=O