3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: 3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-butanoic acid CAS Name: 3-[(4-cyanophenyl)methylthio]-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-cyanophenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-cyanobenzyl)thio]-3-methyl-butyric acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H24N2O4S/c1-17(2,3)24-16(23)20-14(15(21)22)18(4,5)25-11-13-8-6-12(10-19)7-9-13/h6-9,14H,11H2,1-5H3,(H,20,23)(H,21,22)