Molecule ID: 439517

IUPAC Name: (2S)-2-amino-5-[2-[4-(hydroxymethyl)phenyl]hydrazinyl]-5-oxopentanoic acid

Description: The molecule is a carbohydrazide, a L-glutamic acid derivative, a member of benzyl alcohols and a non-proteinogenic L-alpha-amino acid. It is a tautomer of an agaritine zwitterion.

SMILES: N[C@@H](CCC(O)=NNc1ccc(CO)cc1)C(=O)O

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

InChI: InChI=1S/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)/t10-/m0/s1

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: -2.8