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

Systemtic Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-methylsulfonylphenyl)methylsulfanyl]butanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-methyl-3-[(4-methylsulfonylphenyl)methylsulfanyl]butanoic acid CAS Name: 3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(4-methylsulfonylphenyl)methylthio]butanoic acid IUPAC Name: 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-methylsulfonylphenyl)methylsulfanyl]butanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-mesylbenzyl)thio]-3-methyl-butyric acid Formula: C18H27NO6S2 MolecularWeight: 417.54008

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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)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(=O)O)C(C)(C)SCC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C18H27NO6S2/c1-17(2,3)25-16(22)19-14(15(20)21)18(4,5)26-11-12-7-9-13(10-8-12)27(6,23)24/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)