3-methyl-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanyl-butanoic acid

Systemtic Name: 3-methyl-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanyl-butanoic acid Openeye Name: 2-[tert-butoxycarbonyl(p-tolylmethyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-3-methyl-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-methylphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-sulfanylbutanoic acid Traditional Name: 2-[tert-butoxycarbonyl-(4-methylbenzyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C(C(=O)O)C(C)(C)S)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN(C(C(=O)O)C(C)(C)S)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27NO4S/c1-12-7-9-13(10-8-12)11-19(16(22)23-17(2,3)4)14(15(20)21)18(5,6)24/h7-10,14,24H,11H2,1-6H3,(H,20,21)