5-(4-hydroxyphenyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: 5-(4-hydroxyphenyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid Openeye Name: 4-(benzylamino)-2-(benzyloxycarbonylamino)-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid CAS Name: 5-(4-hydroxyphenyl)-3-oxo-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid IUPAC Name: 4-(benzylamino)-5-(4-hydroxyphenyl)-3-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzylamino)-2-(benzyloxycarbonylamino)-5-(4-hydroxyphenyl)-3-keto-valeric acid Formula: C26H26N2O6 MolecularWeight: 462.49444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)O)C(=O)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)O)C(=O)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O6/c29-21-13-11-18(12-14-21)15-22(27-16-19-7-3-1-4-8-19)24(30)23(25(31)32)28-26(33)34-17-20-9-5-2-6-10-20/h1-14,22-23,27,29H,15-17H2,(H,28,33)(H,31,32)