glycyl-l-tryptophyl-glycine | SBID = 64 | Compound | Pubchem logo

Molecular Properties

Interactions: 3
PubChem TPSA/Å2: 137.0
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): -2.9
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 5.0
Number of H-Bond Acceptors: 5.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 241.0
Sum Formula: C15H18N4O4
M / g/mol: 318.333
Complexity: 457.0
Number of Conformers: 10.0

Identifiers

  • Tags: aromatic, typical guest, amino acid
  • Name: glycyl-l-tryptophyl-glycine
  • Preferred Abbreviation: Gly-Trp-Gly
  • IUPAC Name: 2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
  • CAS: 23067-32-5
  • CID: 7009647
  • InChiKey: PYFIQROSWQERAS-LBPRGKRZSA-N
  • InChi: InChI=1S/C15H18N4O4/c16-6-13(20)19-12(15(23)18-8-14(21)22)5-9-7-17-11-4-2-1-3-10(9)11/h1-4,7,12,17H,5-6,8,16H2,(H,18,23)(H,19,20)(H,21,22)/t12-/m0/s1
  • CanoSmiles: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NCC(=O)O)NC(=O)CN
  • IsoSmiles: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)NCC(=O)O)NC(=O)CN