methyl (2R,3R)-3-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R,3R)-3-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2R,3R)-2-(tert-butoxycarbonylamino)-3-phenyl-3-(p-tolylsulfonylamino)propanoate CAS Name: (2R,3R)-3-[(4-methylphenyl)sulfonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R,3R)-3-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: (2R,3R)-2-(tert-butoxycarbonylamino)-3-phenyl-3-(tosylamino)propionic acid methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)[C@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H28N2O6S/c1-15-11-13-17(14-12-15)31(27,28)24-18(16-9-7-6-8-10-16)19(20(25)29-5)23-21(26)30-22(2,3)4/h6-14,18-19,24H,1-5H3,(H,23,26)/t18-,19-/m1/s1