Molecule ID: 50900049

IUPAC Name: methyl (1R,11S,12S,17S)-12-acetyl-6-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-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: COC(=O)C1=C2Nc3c(O)cccc3[C@@]23CCN2C[C@@H](C(C)=O)[C@@H]1C[C@H]23

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

InChI: InChI=1S/C20H22N2O4/c1-10(23)12-9-22-7-6-20-13-4-3-5-14(24)17(13)21-18(20)16(19(25)26-2)11(12)8-15(20)22/h3-5,11-12,15,21,24H,6-9H2,1-2H3/t11-,12-,15-,20+/m0/s1

Molecular Properties:
- Polar Surface Area: 78.9 Ų
- LogP: 1.2