3-(4-methoxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-(4-methoxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(4-methoxyphenyl)sulfanyl-3-phenyl-propanoic acid CAS Name: 3-[(4-methoxyphenyl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-(4-methoxyphenyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(4-methoxyphenyl)thio]-3-phenyl-propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)SC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C(C1=CC=CC=C1)SC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C21H25NO5S/c1-21(2,3)27-20(25)22-17(19(23)24)18(14-8-6-5-7-9-14)28-16-12-10-15(26-4)11-13-16/h5-13,17-18H,1-4H3,(H,22,25)(H,23,24)