1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate Openeye Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-4-piperidinecarboxylate IUPAC Name: 1-[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]isonipecotate Formula: C22H28N3O5- MolecularWeight: 414.47482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC(CC3)C(=O)[O-]

InChI

InChI=1S/C22H29N3O5/c1-22(2,3)30-21(29)24-18(12-15-13-23-17-7-5-4-6-16(15)17)19(26)25-10-8-14(9-11-25)20(27)28/h4-7,13-14,18,23H,8-12H2,1-3H3,(H,24,29)(H,27,28)/p-1/t18-/m0/s1