(2S)-2-[(4-methylphenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-(tert-butoxycarbonylamino)-4-oxo-2-(p-tolylsulfonylamino)butanoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid Traditional Name: (2S)-4-(tert-butoxycarbonylamino)-4-keto-2-(tosylamino)butyric acid Formula: C16H22N2O7S MolecularWeight: 386.42008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O7S/c1-10-5-7-11(8-6-10)26(23,24)18-12(14(20)21)9-13(19)17-15(22)25-16(2,3)4/h5-8,12,18H,9H2,1-4H3,(H,20,21)(H,17,19,22)/t12-/m0/s1