2-[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoylamino]-4,5-dimethoxy-benzoate

Systemtic Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-oxidanidyl-1-oxidanylidene-propan-2-yl]carbamoylamino]-4,5-dimethoxy-benzoate Openeye Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-oxido-2-oxo-ethyl]carbamoylamino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]amino]-4,5-dimethoxybenzoate IUPAC Name: 2-[[(2S)-3-(1H-indol-3-yl)-1-oxido-1-oxopropan-2-yl]carbamoylamino]-4,5-dimethoxybenzoate Traditional Name: 2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-oxido-ethyl]carbamoylamino]-4,5-dimethoxy-benzoate Formula: C21H19N3O7-2 MolecularWeight: 425.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)[O-])NC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)[O-])OC

InChI

InChI=1S/C21H21N3O7/c1-30-17-8-13(19(25)26)15(9-18(17)31-2)23-21(29)24-16(20(27)28)7-11-10-22-14-6-4-3-5-12(11)14/h3-6,8-10,16,22H,7H2,1-2H3,(H,25,26)(H,27,28)(H2,23,24,29)/p-2/t16-/m0/s1