(phenylmethyl) (2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-4-(4-hydroxyphenyl)butanoate CAS Name: (2S)-4-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-4-(4-hydroxyphenyl)butyric acid benzyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

InChI

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