(phenylmethyl) (2S)-5-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: (phenylmethyl) (2S)-5-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: benzyl (2S)-2-(tert-butoxycarbonylamino)-5-(4-hydroxyphenyl)pentanoate CAS Name: (2S)-5-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-5-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-5-(4-hydroxyphenyl)valeric acid benzyl ester Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCC1=CC=C(C=C1)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29NO5/c1-23(2,3)29-22(27)24-20(11-7-10-17-12-14-19(25)15-13-17)21(26)28-16-18-8-5-4-6-9-18/h4-6,8-9,12-15,20,25H,7,10-11,16H2,1-3H3,(H,24,27)/t20-/m0/s1