(2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoic acid

Systemtic Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoic acid Openeye Name: (2S)-6-(tert-butoxycarbonylamino)-2-(p-tolylsulfonylamino)hex-4-ynoic acid CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-hexynoic acid IUPAC Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-4-ynoic acid Traditional Name: (2S)-6-(tert-butoxycarbonylamino)-2-(tosylamino)hex-4-ynoic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O6S/c1-13-8-10-14(11-9-13)27(24,25)20-15(16(21)22)7-5-6-12-19-17(23)26-18(2,3)4/h8-11,15,20H,7,12H2,1-4H3,(H,19,23)(H,21,22)/t15-/m0/s1