5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-2-sulfanylidene-pentanoic acid

Systemtic Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-2-sulfanylidene-pentanoic acid Openeye Name: 5-(tert-butoxycarbonylamino)-5-phenyl-2-thioxo-pentanoic acid CAS Name: 5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-phenyl-2-sulfanylidenepentanoic acid IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenyl-2-sulfanylidenepentanoic acid Traditional Name: 5-(tert-butoxycarbonylamino)-5-phenyl-2-thioxo-valeric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=S)C(=O)O)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC(=S)C(=O)O)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO4S/c1-16(2,3)21-15(20)17-12(9-10-13(22)14(18)19)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,20)(H,18,19)