1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2S)-2-acetamido-6-(tert-butoxycarbonylamino)hexanoyl]piperidine-3-carboxylic acid CAS Name: 1-[(2S)-2-acetamido-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2S)-2-acetamido-6-(tert-butoxycarbonylamino)hexanoyl]nipecotic acid Formula: C19H33N3O6 MolecularWeight: 399.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)O

InChI

InChI=1S/C19H33N3O6/c1-13(23)21-15(9-5-6-10-20-18(27)28-19(2,3)4)16(24)22-11-7-8-14(12-22)17(25)26/h14-15H,5-12H2,1-4H3,(H,20,27)(H,21,23)(H,25,26)/t14?,15-/m0/s1