4-[[3-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-1-(4-ethanoylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-5-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)-2-oxido-2-oxo-ethyl]-1H-indol-5-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-1-(4-acetyl-1-piperazin-1-iumyl)-2-oxido-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)-2-oxido-2-oxoethyl]-1H-indol-5-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(1S)-1-(4-acetylpiperazin-1-ium-1-yl)-2-keto-2-oxido-ethyl]-1H-indol-5-yl]amino]-4-keto-butyrate Formula: C20H23N4O6- MolecularWeight: 415.41982

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)CCC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C20H24N4O6/c1-12(25)23-6-8-24(9-7-23)19(20(29)30)15-11-21-16-3-2-13(10-14(15)16)22-17(26)4-5-18(27)28/h2-3,10-11,19,21H,4-9H2,1H3,(H,22,26)(H,27,28)(H,29,30)/p-1/t19-/m0/s1