Molecule ID: 440238

IUPAC Name: (2S)-2-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid

Description: The molecule is histamine having a gamma-L-glutamyl group attached to the side-chain nitrogen. It derives from a histamine. It is a tautomer of a N(alpha)-gamma-L-glutamylhistamine zwitterion.

SMILES: N[C@@H](CCC(O)=NCCc1cnc[nH]1)C(=O)O

SELFIES: [N][C@@H1][Branch1][P][C][C][C][Branch1][C][O][=N][C][C][C][=C][N][=C][NH1][Ring1][Branch1][C][=Branch1][C][=O][O]

InChI: InChI=1S/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)/t8-/m0/s1

Molecular Properties:
- Polar Surface Area: 121.0 Ų
- LogP: -3.6