Molecule ID: 50899956

IUPAC Name: methyl (1R,11S,12R,17S)-12-[(1R)-1-ethoxycarbonyloxyethyl]-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate

Description: The molecule is an alkaloid, a methyl ester and an organic heteropentacyclic compound. It has a role as a metabolite.

SMILES: CCOC(=O)O[C@H](C)[C@H]1CN2CC[C@]34C(=C(C(=O)OC)[C@H]1C[C@H]23)Nc1ccccc14

SELFIES: [C][C][O][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C@H1][C][N][C][C][C@][C][=Branch2][Ring1][Ring1][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@H1][Ring1][=N][C][C@H1][Ring1][=N][Ring1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P]

InChI: InChI=1S/C23H28N2O5/c1-4-29-22(27)30-13(2)15-12-25-10-9-23-16-7-5-6-8-17(16)24-20(23)19(21(26)28-3)14(15)11-18(23)25/h5-8,13-15,18,24H,4,9-12H2,1-3H3/t13-,14+,15-,18+,23-/m1/s1

Molecular Properties:
- Polar Surface Area: 77.1 Ų
- LogP: 3.3