3-[[(2R,4R)-5-oxidanyl-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoyl]amino]benzoic acid

Systemtic Name: 3-[[(2R,4R)-5-oxidanyl-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoyl]amino]benzoic acid Openeye Name: 3-[[(2R,4R)-2,4-dibenzyl-5-hydroxy-5-oxo-pentanoyl]amino]benzoic acid CAS Name: 3-[[(2R,4R)-5-hydroxy-1,5-dioxo-2,4-bis(phenylmethyl)pentyl]amino]benzoic acid IUPAC Name: 3-[[(2R,4R)-2,4-dibenzyl-5-hydroxy-5-oxopentanoyl]amino]benzoic acid Traditional Name: 3-[[(2R,4R)-2,4-dibenzyl-5-hydroxy-5-keto-pentanoyl]amino]benzoic acid Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C[C@H](CC2=CC=CC=C2)C(=O)O)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C26H25NO5/c28-24(27-23-13-7-12-20(17-23)25(29)30)21(14-18-8-3-1-4-9-18)16-22(26(31)32)15-19-10-5-2-6-11-19/h1-13,17,21-22H,14-16H2,(H,27,28)(H,29,30)(H,31,32)/t21-,22-/m0/s1