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

Systemtic Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[4-(phenylmethoxycarbonylamino)phenyl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[4-(benzyloxycarbonylamino)benzoyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[oxo-[4-(phenylmethoxycarbonylamino)phenyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxyphenyl)-2-[[4-(phenylmethoxycarbonylamino)benzoyl]amino]propanoate Traditional Name: (2S)-2-[[4-(benzyloxycarbonylamino)benzoyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C25H24N2O6 MolecularWeight: 448.46786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2=CC=C(C=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O6/c1-32-24(30)22(15-17-7-13-21(28)14-8-17)27-23(29)19-9-11-20(12-10-19)26-25(31)33-16-18-5-3-2-4-6-18/h2-14,22,28H,15-16H2,1H3,(H,26,31)(H,27,29)/t22-/m0/s1