4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid

Systemtic Name: 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid Openeye Name: 4-[3-(tert-butoxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]phenyl]butanoic acid CAS Name: 4-[2-[(4-methoxyphenyl)methylthio]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]butanoic acid IUPAC Name: 4-[2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid Traditional Name: 4-[3-(tert-butoxycarbonylamino)-2-(p-anisylthio)phenyl]butyric acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1SCC2=CC=C(C=C2)OC)CCCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1SCC2=CC=C(C=C2)OC)CCCC(=O)O

InChI

InChI=1S/C23H29NO5S/c1-23(2,3)29-22(27)24-19-9-5-7-17(8-6-10-20(25)26)21(19)30-15-16-11-13-18(28-4)14-12-16/h5,7,9,11-14H,6,8,10,15H2,1-4H3,(H,24,27)(H,25,26)