3-[4-oxidanylidene-3-[[3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]azetidin-2-yl]oxybenzoic acid

Systemtic Name: 3-[4-oxidanylidene-3-[[3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]azetidin-2-yl]oxybenzoic acid Openeye Name: 3-[4-oxo-3-[[3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]azetidin-2-yl]oxybenzoic acid CAS Name: 3-[[4-oxo-3-[[1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]-2-azetidinyl]oxy]benzoic acid IUPAC Name: 3-[4-oxo-3-[[3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]azetidin-2-yl]oxybenzoic acid Traditional Name: 3-[3-[[2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-4-keto-azetidin-2-yl]oxybenzoic acid Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3C(NC3=O)OC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3C(NC3=O)OC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C28H27N3O6/c32-23(15-14-18-8-3-1-4-9-18)29-22(16-19-10-5-2-6-11-19)25(33)30-24-26(34)31-27(24)37-21-13-7-12-20(17-21)28(35)36/h1-13,17,22,24,27H,14-16H2,(H,29,32)(H,30,33)(H,31,34)(H,35,36)