Molecule ID: 194573

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

Description: The molecule is a mugineic acid derivative consisting of mugineic acid having hydroxy group at the 3-position. It derives from a mugineic acid.

SMILES: O=C(O)[C@@H](NCC[C@H](O)C(=O)O)[C@@H](O)CN1C[C@@H](O)[C@H]1C(=O)O

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

InChI: InChI=1S/C12H20N2O9/c15-5(10(18)19)1-2-13-8(11(20)21)6(16)3-14-4-7(17)9(14)12(22)23/h5-9,13,15-17H,1-4H2,(H,18,19)(H,20,21)(H,22,23)/t5-,6-,7+,8-,9-/m0/s1

Molecular Properties:
- Polar Surface Area: 188.0 Ų
- LogP: -7.1