1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]isonipecotic acid Formula: C16H28N2O5S MolecularWeight: 360.46892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC)C(=O)N1CCC(CC1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC)C(=O)N1CCC(CC1)C(=O)O

InChI

InChI=1S/C16H28N2O5S/c1-16(2,3)23-15(22)17-12(7-10-24-4)13(19)18-8-5-11(6-9-18)14(20)21/h11-12H,5-10H2,1-4H3,(H,17,22)(H,20,21)