(E)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-sulfanyl-hept-6-enoic acid

Systemtic Name: (E)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-sulfanyl-hept-6-enoic acid Openeye Name: (E)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-7-sulfanyl-hept-6-enoic acid CAS Name: (E)-7-mercapto-3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-heptenoic acid IUPAC Name: (E)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-sulfanylhept-6-enoic acid Traditional Name: (E)-2-(tert-butoxycarbonylamino)-7-mercapto-3,3-dimethyl-hept-6-enoic acid Formula: C14H25NO4S MolecularWeight: 303.4176

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)CCC=CS

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)CC/C=C/S

InChI

InChI=1S/C14H25NO4S/c1-13(2,3)19-12(18)15-10(11(16)17)14(4,5)8-6-7-9-20/h7,9-10,20H,6,8H2,1-5H3,(H,15,18)(H,16,17)/b9-7+