methyl (2S)-2-acetamido-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate

Systemtic Name: methyl (2S)-2-acetamido-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate Openeye Name: methyl (2S)-2-acetamido-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propanoate CAS Name: (2S)-2-acetamido-3-[4-[6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-acetamido-3-[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]propanoate Traditional Name: (2S)-2-acetamido-3-[4-[6-(tert-butoxycarbonylamino)hexoxy]phenyl]propionic acid methyl ester Formula: C23H36N2O6 MolecularWeight: 436.54174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O6/c1-17(26)25-20(21(27)29-5)16-18-10-12-19(13-11-18)30-15-9-7-6-8-14-24-22(28)31-23(2,3)4/h10-13,20H,6-9,14-16H2,1-5H3,(H,24,28)(H,25,26)/t20-/m0/s1