Molecule ID: 50909800

IUPAC Name: 1-[2-[(3R)-3-carboxy-5-[[3-carboxy-3-(2-carboxy-2-hydroxy-5-oxopyrrolidin-1-yl)propyl]amino]-3-hydroxy-5-oxopentanoyl]oxyethyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid

Description: The molecule is a tetracarboxylic acid obtained by protonation of the four carboxylate groups of achromobactin. A siderophore biosynthesized by prokaryotes. It has a role as a siderophore. It is a tetracarboxylic acid and a N-acyl hemiaminal. It is a conjugate acid of an achromobactin.

SMILES: O=C(C[C@](O)(CC(O)=NCCC(C(=O)O)N1C(=O)CCC1(O)C(=O)O)C(=O)O)OCCN1C(=O)CCC1(O)C(=O)O

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

InChI: InChI=1S/C22H29N3O16/c26-12(23-6-3-11(16(30)31)25-14(28)2-5-22(25,40)19(36)37)9-20(38,17(32)33)10-15(29)41-8-7-24-13(27)1-4-21(24,39)18(34)35/h11,38-40H,1-10H2,(H,23,26)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t11?,20-,21?,22?/m1/s1

Molecular Properties:
- Polar Surface Area: 306.0 Ų
- LogP: -5.1