3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid

Systemtic Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-[2-(4-pyridyl)ethylsulfanyl]butanoic acid CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-pyridin-4-ylethylthio)butanoic acid IUPAC Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-pyridin-4-ylethylsulfanyl)butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-[2-(4-pyridyl)ethylthio]butyric acid Formula: C17H26N2O4S MolecularWeight: 354.46434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCCC1=CC=NC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCCC1=CC=NC=C1

InChI

InChI=1S/C17H26N2O4S/c1-16(2,3)23-15(22)19-13(14(20)21)17(4,5)24-11-8-12-6-9-18-10-7-12/h6-7,9-10,13H,8,11H2,1-5H3,(H,19,22)(H,20,21)