Molecule ID: 52952438

IUPAC Name: methyl (3R)-4-[[(Z)-6-chloro-5-[[[(E,7S)-7-methoxytetradec-4-enoyl]-methylamino]methyl]-3-oxohex-5-enoyl]amino]-3-hydroxybutanoate

Description: The molecule is an organooxygen compound and an organonitrogen compound. It has a role as a metabolite. It derives from a gamma-amino acid.

SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)N(C)C/C(=C\Cl)CC(=O)CC(O)=NC[C@H](O)CC(=O)OC)OC

SELFIES: [C][C][C][C][C][C][C][C@@H1][Branch2][Ring2][O][C][/C][=C][/C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][/C][=Branch1][Ring1][=C][\Cl][C][C][=Branch1][C][=O][C][C][Branch1][C][O][=N][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][O][C][O][C]

InChI: InChI=1S/C28H47ClN2O7/c1-5-6-7-8-10-13-25(37-3)14-11-9-12-15-27(35)31(2)21-22(19-29)16-23(32)17-26(34)30-20-24(33)18-28(36)38-4/h9,11,19,24-25,33H,5-8,10,12-18,20-21H2,1-4H3,(H,30,34)/b11-9+,22-19-/t24-,25+/m1/s1

Molecular Properties:
- Polar Surface Area: 122.0 Ų
- LogP: 3.7