(2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-benzamido-1H-indol-3-yl)-2-(4-tert-butoxycarbonylpiperazin-1-ium-1-yl)acetate Formula: C26H30N4O5 MolecularWeight: 478.5402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)NC(=O)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C26H30N4O5/c1-26(2,3)35-25(34)30-13-11-29(12-14-30)22(24(32)33)20-16-27-21-10-9-18(15-19(20)21)28-23(31)17-7-5-4-6-8-17/h4-10,15-16,22,27H,11-14H2,1-3H3,(H,28,31)(H,32,33)/t22-/m0/s1