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Thr-Gly-Ser-Phe-Met-NH2 | SBID = 1250 | 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: 9.0
Number of H-Bond Acceptors: 13.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C23H36N6O7S
M / g/mol: 540.63294
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Thr-Gly-Ser-Phe-Met-NH2
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -421
  • InChiKey: DOBOSLHQXFVZSJ-UHFFFAOYSA-N
  • InChi: InChI=1S/C23H36N6O7S/c1-13(31)19(24)23(36)26-11-18(32)27-17(12-30)22(35)29-16(10-14-6-4-3-5-7-14)21(34)28-15(20(25)33)8-9-37-2/h3-7,13,15-17,19,30-31H,8-12,24H2,1-2H3,(H2,25,33)(H,26,36)(H,27,32)(H,28,34)(H,29,35)
  • 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)CO)Cc1ccccc1
  • IsoSmiles: NC([C@@H](C)O)C(NCC(N[C@@H](CO)C(N[C@H](C(N[C@H](C(N)=O)CCSC)=O)CC1=CC=CC=C1)=O)=O)=O