Met-Arg-Gly-Gly-Tyr | SBID = 1196 | 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: 10.0
Number of H-Bond Acceptors: 13.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C24H38N8O7S
M / g/mol: 582.67292
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: Met-Arg-Gly-Gly-Tyr
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -389
  • InChiKey: FDHTXOIBZNXXOE-UHFFFAOYSA-N
  • InChi: InChI=1S/C24H38N8O7S/c1-40-10-8-16(25)21(36)32-17(3-2-9-28-24(26)27)22(37)30-12-19(34)29-13-20(35)31-18(23(38)39)11-14-4-6-15(33)7-5-14/h4-7,16-18,33H,2-3,8-13,25H2,1H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)(H,38,39)(H4,26,27,28)
  • CanoSmiles: CSCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCCNC(=N)N)N
  • IsoSmiles: N[C@H](C(N[C@@H](CCCNC(N)=N)C(NCC(NCC(N[C@H](C(O)=O)CC1=CC=C(O)C=C1)=O)=O)=O)=O)CCSC