(phenylmethyl) (2S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Systemtic Name: (phenylmethyl) (2S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-3-[4-(hydroxymethyl)phenyl]propanoate CAS Name: (2S)-3-[4-(hydroxymethyl)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-3-[4-(hydroxymethyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-methylolphenyl)propionic acid benzyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23-19(13-16-9-11-17(14-24)12-10-16)20(25)27-15-18-7-5-4-6-8-18/h4-12,19,24H,13-15H2,1-3H3,(H,23,26)/t19-/m0/s1