3-[4-azanyl-2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-phenyl]propanoic acid

Systemtic Name: 3-[4-azanyl-2-(5-benzamido-4-oxidanylidene-6-phenyl-hexanoyl)oxy-phenyl]propanoic acid Openeye Name: 3-[4-amino-2-(5-benzamido-4-oxo-6-phenyl-hexanoyl)oxy-phenyl]propanoic acid CAS Name: 3-[4-amino-2-(5-benzamido-1,4-dioxo-6-phenylhexoxy)phenyl]propanoic acid IUPAC Name: 3-[4-amino-2-(5-benzamido-4-oxo-6-phenylhexanoyl)oxyphenyl]propanoic acid Traditional Name: 3-[4-amino-2-(5-benzamido-4-keto-6-phenyl-hexanoyl)oxy-phenyl]propionic acid Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CCC(=O)OC2=C(C=CC(=C2)N)CCC(=O)O)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)CCC(=O)OC2=C(C=CC(=C2)N)CCC(=O)O)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H28N2O6/c29-22-13-11-20(12-15-26(32)33)25(18-22)36-27(34)16-14-24(31)23(17-19-7-3-1-4-8-19)30-28(35)21-9-5-2-6-10-21/h1-11,13,18,23H,12,14-17,29H2,(H,30,35)(H,32,33)