tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(phenylmethyl)amino]hexanoate

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(phenylmethyl)amino]hexanoate Openeye Name: tert-butyl (2S)-6-(benzylamino)-2-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[(phenylmethyl)amino]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-6-(benzylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate Traditional Name: (2S)-6-(benzylamino)-2-(tert-butoxycarbonylamino)hexanoic acid tert-butyl ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCCCNCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CCCCNCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O4/c1-21(2,3)27-19(25)18(24-20(26)28-22(4,5)6)14-10-11-15-23-16-17-12-8-7-9-13-17/h7-9,12-13,18,23H,10-11,14-16H2,1-6H3,(H,24,26)/t18-/m0/s1