methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-(phenylmethyl)amino]propanoate Openeye Name: methyl (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]-(phenylmethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[benzyl(tert-butoxycarbonyl)amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C22H27NO5 MolecularWeight: 385.45348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)C(CC2=CC=C(C=C2)O)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=CC=C1)[C@@H](CC2=CC=C(C=C2)O)C(=O)OC

InChI

InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(15-17-8-6-5-7-9-17)19(20(25)27-4)14-16-10-12-18(24)13-11-16/h5-13,19,24H,14-15H2,1-4H3/t19-/m0/s1