Molecule ID: 70698270

IUPAC Name: methyl (3S,3aR,7aS)-7a-ethenyl-3-(3-formyl-1H-indol-2-yl)-2,3a,4,5,6,7-hexahydrofuro[2,3-c]pyridine-3-carboxylate

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

SMILES: C=C[C@@]12CNCC[C@@H]1[C@](C(=O)OC)(c1[nH]c3ccccc3c1C=O)CO2

SELFIES: [C][=C][C@@][C][N][C][C][C@@H1][Ring1][=Branch1][C@][Branch1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][S][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][=O][C][O][Ring2][Ring1][Branch2]

InChI: InChI=1S/C20H22N2O4/c1-3-19-11-21-9-8-16(19)20(12-26-19,18(24)25-2)17-14(10-23)13-6-4-5-7-15(13)22-17/h3-7,10,16,21-22H,1,8-9,11-12H2,2H3/t16-,19+,20-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.4 Ų
- LogP: 1.3