3-[5-[[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]ammonio]methyl]-2-furyl]benzoate CAS Name: 3-[5-[[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]ammonio]methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]azaniumyl]methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]ammonio]methyl]-2-furyl]benzoate Formula: C23H19N2O5- MolecularWeight: 403.40736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H20N2O5/c26-22(27)15-5-3-4-14(10-15)21-9-8-17(30-21)13-25-20(23(28)29)11-16-12-24-19-7-2-1-6-18(16)19/h1-10,12,20,24-25H,11,13H2,(H,26,27)(H,28,29)/p-1/t20-/m0/s1