Molecule ID: 46700819

IUPAC Name: (4R,7R,10S,13S,15E,17R,19S)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone

Description: The molecule is a cyclodepsipeptide isolated from Jaspis splendens. It has a role as an antineoplastic agent, an animal metabolite and a marine metabolite. It is a member of phenols, a cyclodepsipeptide and a member of indoles.

SMILES: C/C1=C\[C@H](C)C[C@H](C)OC(=O)C[C@H](c2ccc(O)cc2)N=C(O)[C@@H](Cc2c[nH]c3ccccc23)N(C)C(=O)[C@H](C)N=C(O)[C@@H](C)C1

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

InChI: InChI=1S/C36H46N4O6/c1-21-15-22(2)17-24(4)46-33(42)19-31(26-11-13-28(41)14-12-26)39-35(44)32(18-27-20-37-30-10-8-7-9-29(27)30)40(6)36(45)25(5)38-34(43)23(3)16-21/h7-15,20,22-25,31-32,37,41H,16-19H2,1-6H3,(H,38,43)(H,39,44)/b21-15+/t22-,23-,24-,25-,31+,32+/m0/s1

Molecular Properties:
- Polar Surface Area: 141.0 Ų
- LogP: 4.6