2-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-methyl-3-phenyl-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 2-methyl-3-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-methyl-3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-2-methyl-3-[(4-methylbenzyl)thio]-3-phenyl-propionic acid Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC(C2=CC=CC=C2)C(C)(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC(C2=CC=CC=C2)C(C)(C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H29NO4S/c1-16-11-13-17(14-12-16)15-29-19(18-9-7-6-8-10-18)23(5,20(25)26)24-21(27)28-22(2,3)4/h6-14,19H,15H2,1-5H3,(H,24,27)(H,25,26)