Molecule ID: 16070023

IUPAC Name: (2S)-4-[[(1S)-1-carboxy-3-hydroxypropyl]amino]-2-[[(3S)-3-carboxy-3-hydroxypropyl]amino]butanoic acid

Description: The molecule is an avenic acid A. It has a role as a phytosiderophore. It is an enantiomer of a (R,R,R)-avenic acid A.

SMILES: O=C(O)[C@H](CCO)NCC[C@H](NCC[C@H](O)C(=O)O)C(=O)O

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

InChI: InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 176.0 Ų
- LogP: -6.6