methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl 6-(benzyloxycarbonylamino)-2-[2-(tert-butoxycarbonylamino)ethylamino]hexanoate CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: 6-(benzyloxycarbonylamino)-2-[2-(tert-butoxycarbonylamino)ethylamino]hexanoic acid methyl ester Formula: C22H35N3O6 MolecularWeight: 437.5298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC

InChI

InChI=1S/C22H35N3O6/c1-22(2,3)31-21(28)25-15-14-23-18(19(26)29-4)12-8-9-13-24-20(27)30-16-17-10-6-5-7-11-17/h5-7,10-11,18,23H,8-9,12-16H2,1-4H3,(H,24,27)(H,25,28)