Molecule ID: 53477571

IUPAC Name: N-[6-amino-5-[3-[2-[2-[2-[2-[2-[2-[4-(1H-indol-3-yl)butanoylamino]ethoxy]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 member of indoles, a polyether and a monocarboxylic acid amide.

SMILES: N=C(O)C(CCCCNC(=O)c1ccc([N+](=O)[O-])o1)N=C(O)CCOCCOCCOCCOCCOCCOCCN=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][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/C38H56N6O13/c39-37(47)32(9-3-4-14-41-38(48)33-11-12-36(57-33)44(49)50)43-35(46)13-16-51-18-20-53-22-24-55-26-27-56-25-23-54-21-19-52-17-15-40-34(45)10-5-6-29-28-42-31-8-2-1-7-30(29)31/h1-2,7-8,11-12,28,32,42H,3-6,9-10,13-27H2,(H2,39,47)(H,40,45)(H,41,48)(H,43,46)

Molecular Properties:
- Polar Surface Area: 261.0 Ų
- LogP: 0.9