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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-phenyl-3-(p-tolylmethylsulfanyl)propanoic acid CAS Name: 3-[(4-methylphenyl)methylthio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-methylbenzyl)thio]-3-phenyl-propionic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27NO4S/c1-15-10-12-16(13-11-15)14-28-19(17-8-6-5-7-9-17)18(20(24)25)23-21(26)27-22(2,3)4/h5-13,18-19H,14H2,1-4H3,(H,23,26)(H,24,25)