4-[[3-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[3-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-oxidanidyl-2-oxidanylidene-ethyl]-1H-indol-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[3-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-oxido-2-oxo-ethyl]-1H-indol-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[3-[(1S)-1-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[3-[(1S)-1-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-oxido-2-oxoethyl]-1H-indol-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[3-[(1S)-1-(4-carbethoxypiperazin-1-ium-1-yl)-2-keto-2-oxido-ethyl]-1H-indol-6-yl]amino]-4-keto-butyrate Formula: C21H25N4O7- MolecularWeight: 445.4458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O7/c1-2-32-21(31)25-9-7-24(8-10-25)19(20(29)30)15-12-22-16-11-13(3-4-14(15)16)23-17(26)5-6-18(27)28/h3-4,11-12,19,22H,2,5-10H2,1H3,(H,23,26)(H,27,28)(H,29,30)/p-1/t19-/m0/s1