Thr-Gly-D-Ala-Phe-Met-NH2 | SBID = 1247 | 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: C23H36N6O6S
M / g/mol: 524.63354
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Thr-Gly-D-Ala-Phe-Met-NH2
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -418
  • InChiKey: SFOLFBPOPJNLST-UHFFFAOYSA-N
  • InChi: InChI=1S/C23H36N6O6S/c1-13(27-18(31)12-26-23(35)19(24)14(2)30)21(33)29-17(11-15-7-5-4-6-8-15)22(34)28-16(20(25)32)9-10-36-3/h4-8,13-14,16-17,19,30H,9-12,24H2,1-3H3,(H2,25,32)(H,26,35)(H,27,31)(H,28,34)(H,29,33)
  • CanoSmiles: CSCC[C@@H](C(=O)N)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C([C@H](O)C)N)C)Cc1ccccc1
  • IsoSmiles: NC([C@@H](C)O)C(NCC(N[C@@H](C(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC1=CC=CC=C1)=O)C)=O)=O