methyl (2S)-2-[(3-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: methyl (2S)-2-[(3-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: methyl (2S)-3-(tert-butoxycarbonylamino)-2-(m-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(3-methylphenyl)sulfonylamino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3-methylphenyl)sulfonylamino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-3-(tert-butoxycarbonylamino)-2-(m-tolylsulfonylamino)propionic acid methyl ester Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6S/c1-11-7-6-8-12(9-11)25(21,22)18-13(14(19)23-5)10-17-15(20)24-16(2,3)4/h6-9,13,18H,10H2,1-5H3,(H,17,20)/t13-/m0/s1