Molecule ID: 53477570

IUPAC Name: N-[6-amino-5-[3-[2-[2-[2-[2-[2-[4-(1H-indol-3-yl)butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-oxohexyl]-5-nitrofuran-2-carboxamide

Description: The molecule is a furan having a nitro group at position 5 and a carboxamido group in turn bearing a long-chain multifunctional N-alkyl group at position 2. It is a C-nitro compound, a member of furans, a polyether, a member of indoles and a monocarboxylic acid amide.

SMILES: N=C(O)C(CCCCNC(=O)c1ccc([N+](=O)[O-])o1)N=C(O)CCOCCOCCOCCOCCOCCN=C(O)CCCc1c[nH]c2ccccc12

SELFIES: [N][=C][Branch1][C][O][C][Branch2][Ring1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2][N][=C][Branch1][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][=C][Branch1][C][O][C][C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]

InChI: InChI=1S/C36H52N6O12/c37-35(45)30(9-3-4-14-39-36(46)31-11-12-34(54-31)42(47)48)41-33(44)13-16-49-18-20-51-22-24-53-25-23-52-21-19-50-17-15-38-32(43)10-5-6-27-26-40-29-8-2-1-7-28(27)29/h1-2,7-8,11-12,26,30,40H,3-6,9-10,13-25H2,(H2,37,45)(H,38,43)(H,39,46)(H,41,44)

Molecular Properties:
- Polar Surface Area: 251.0 Ų
- LogP: 1.0