methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]propanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-27-19(25)17(11-14-7-9-16(23)10-8-14)22-18(24)12-21-20(26)28-13-15-5-3-2-4-6-15/h2-10,17,23H,11-13H2,1H3,(H,21,26)(H,22,24)/t17-/m0/s1