Molecule ID: 11954190

IUPAC Name: (2S,3S)-1-[(3S)-3-carboxy-3-[[(3S)-3-carboxy-3-hydroxypropyl]amino]propyl]-3-hydroxyazetidine-2-carboxylic acid

Description: The molecule is a member of mugineic acids. It derives from a mugineic acid. It is a conjugate acid of a 3-epi-3-hydroxy-2'-deoxymugineate.

SMILES: O=C(O)[C@H](CCN1C[C@H](O)[C@H]1C(=O)O)NCC[C@H](O)C(=O)O

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

InChI: InChI=1S/C12H20N2O8/c15-7(11(19)20)1-3-13-6(10(17)18)2-4-14-5-8(16)9(14)12(21)22/h6-9,13,15-16H,1-5H2,(H,17,18)(H,19,20)(H,21,22)/t6-,7-,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 168.0 Ų
- LogP: -6.1