Molecule ID: 54680304

IUPAC Name: (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione

Description: The molecule is a polyketide macrolactam containing a tetramic acid (pyrrolidine-2,4-dione) ring system. It is isolated from Streptomyces as an antibiotic with antiprotozoal and cytotoxic activities. It has a role as an antimicrobial agent, an antiprotozoal drug, an antineoplastic agent, an apoptosis inducer and a bacterial metabolite. It is a lactam, an azamacrocycle, an enone, a polyketide and an organic heteropentacyclic compound.

SMILES: CC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(O)=NCCC[C@@H]5N=C(O)/C(=C(O)/C=C/[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C5=O

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

InChI: InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1

Molecular Properties:
- Polar Surface Area: 95.5 Ų
- LogP: 5.0