[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl] ester IUPAC Name: [(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S)-2-(tert-butoxycarbonylamino)-3-methyl-pentyl] ester Formula: C18H29NO5S MolecularWeight: 371.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)[C@@H](COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H29NO5S/c1-7-14(3)16(19-17(20)24-18(4,5)6)12-23-25(21,22)15-10-8-13(2)9-11-15/h8-11,14,16H,7,12H2,1-6H3,(H,19,20)/t14?,16-/m1/s1