Molecule ID: 72193634

IUPAC Name: [(1R,3E,6R,7E,9S,11E,13R,16R,17S,18R,19S)-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-2,5,21-trioxo-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-trien-6-yl] acetate

Description: The molecule is a cytochalasan alkaloid that is the acetyl derivative of chaetoglobosin A. It has been isolated from Chaetomium globosum and Chaetomium brasiliense. It has a role as a Chaetomium metabolite. It is an epoxide, a cytochalasan alkaloid, a member of indoles and a macrocycle.

SMILES: CC(=O)O[C@H]1C(=O)/C=C/C(=O)[C@@]23C(O)=N[C@@H](Cc4c[nH]c5ccccc45)[C@@H]2[C@H](C)[C@@]2(C)OC2[C@@H]3/C=C/C[C@H](C)/C=C/1C

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

InChI: InChI=1S/C34H38N2O6/c1-18-9-8-11-24-31-33(5,42-31)20(3)29-26(16-22-17-35-25-12-7-6-10-23(22)25)36-32(40)34(24,29)28(39)14-13-27(38)30(19(2)15-18)41-21(4)37/h6-8,10-15,17-18,20,24,26,29-31,35H,9,16H2,1-5H3,(H,36,40)/b11-8+,14-13+,19-15+/t18-,20-,24-,26-,29-,30+,31?,33+,34+/m0/s1

Molecular Properties:
- Polar Surface Area: 118.0 Ų
- LogP: 4.3