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Thr-Gly-Gly-Phe-Met-NH2 | SBID = 1251 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 8.0
Number of H-Bond Acceptors: 12.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C22H34N6O6S
M / g/mol: 510.60696
Complexity:
Number of Conformers:

Identifiers

  • Tags: peptide
  • Name: Thr-Gly-Gly-Phe-Met-NH2
  • Preferred Abbreviation: Thr-Gly-Gly-Phe-Met-NH2
  • IUPAC Name:
  • CAS:
  • CID: -422
  • InChiKey: FAXHVOUTPSIHHU-UHFFFAOYSA-N
  • InChi: InChI=1S/C22H34N6O6S/c1-13(29)19(23)22(34)26-11-17(30)25-12-18(31)27-16(10-14-6-4-3-5-7-14)21(33)28-15(20(24)32)8-9-35-2/h3-7,13,15-16,19,29H,8-12,23H2,1-2H3,(H2,24,32)(H,25,30)(H,26,34)(H,27,31)(H,28,33)
  • CanoSmiles: CSCC[C@@H](C(=O)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C([C@H](O)C)N
  • IsoSmiles: NC([C@@H](C)O)C(NCC(NCC(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC1=CC=CC=C1)=O)=O)=O