disodium 3-[[(2R,4R)-5-oxidanidyl-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoyl]amino]benzoate

Systemtic Name: disodium 3-[[(2R,4R)-5-oxidanidyl-5-oxidanylidene-2,4-bis(phenylmethyl)pentanoyl]amino]benzoate Openeye Name: disodium 3-[[(2R,4R)-2,4-dibenzyl-5-oxido-5-oxo-pentanoyl]amino]benzoate CAS Name: disodium 3-[[(2R,4R)-5-oxido-1,5-dioxo-2,4-bis(phenylmethyl)pentyl]amino]benzoate IUPAC Name: disodium 3-[[(2R,4R)-2,4-dibenzyl-5-oxido-5-oxopentanoyl]amino]benzoate Traditional Name: disodium 3-[[(2R,4R)-2,4-dibenzyl-5-keto-5-oxido-pentanoyl]amino]benzoate Formula: C26H23NNa2O5 MolecularWeight: 475.44406

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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-].[Na+].[Na+]

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-].[Na+].[Na+]

InChI

InChI=1S/C26H25NO5.2Na/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);;/q;2*+1/p-2/t21-,22-;;/m0../s1