Molecule ID: 126843441

IUPAC Name: nan

Description: The molecule is an amino dicarboxylic acid that is (Z)-6-aminohept-3-enedioic acid carrying additional hydroxy and oxovinyl substituents at positions 2 and 4 respectively. It is an amino dicarboxylic acid, an oxo dicarboxylic acid, a ketene, a secondary allylic alcohol and an alanine derivative.

SMILES: NC(C/C(C=C=O)=C/C(O)C(=O)O)C(=O)O

SELFIES: [N][C][Branch2][Ring1][C][C][/C][Branch1][Ring2][C][=C][=O][=C][/C][Branch1][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]

InChI: InChI=1S/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1,4,6-7,12H,3,10H2,(H,13,14)(H,15,16)/b5-4+

Molecular Properties:
- Polar Surface Area: 138.0 Ų
- LogP: -2.8