Molecule ID: 25203168

IUPAC Name: (2S)-2-amino-5-[2-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]ethylamino]-5-oxopentanoic acid

Description: The molecule is a L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of L-glutamine with one of the amino groups of 2-(4-{[5-(aminomethyl)furan-3-yl]methoxy}phenyl)ethan-1-amine. It has a role as a bacterial metabolite. It is a L-glutamine derivative, a member of furans, a primary amino compound and an aromatic ether.

SMILES: NCc1cc(COc2ccc(CCN=C(O)CC[C@H](N)C(=O)O)cc2)co1

SELFIES: [N][C][C][=C][C][Branch2][Ring1][P][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][N][=C][Branch1][C][O][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][=C][O][Ring2][Ring1][=Branch2]

InChI: InChI=1S/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: -2.4