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

Systemtic Name: 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-3-sulfanyl-propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-2-(2-methoxyphenyl)-3-phenyl-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-(2-methoxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-3-sulfanylpropanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-mercapto-2-(2-methoxyphenyl)-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(C1=CC=CC=C1OC)(C(C2=CC=CC=C2)S)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC=CC=C1OC)(C(C2=CC=CC=C2)S)C(=O)O

InChI

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