sodium 5-oxidanylidene-5-(3-oxidanylpropylamino)-2,4-bis(phenylmethyl)pentanoate

Systemtic Name: sodium 5-oxidanylidene-5-(3-oxidanylpropylamino)-2,4-bis(phenylmethyl)pentanoate Openeye Name: sodium 2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxo-pentanoate CAS Name: sodium 5-(3-hydroxypropylamino)-5-oxo-2,4-bis(phenylmethyl)pentanoate IUPAC Name: sodium 2,4-dibenzyl-5-(3-hydroxypropylamino)-5-oxopentanoate Traditional Name: sodium 2,4-dibenzyl-5-(3-hydroxypropylamino)-5-keto-valerate Formula: C22H26NNaO4 MolecularWeight: 391.43591

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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)NCCCO.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(CC(CC2=CC=CC=C2)C(=O)[O-])C(=O)NCCCO.[Na+]

InChI

InChI=1S/C22H27NO4.Na/c24-13-7-12-23-21(25)19(14-17-8-3-1-4-9-17)16-20(22(26)27)15-18-10-5-2-6-11-18;/h1-6,8-11,19-20,24H,7,12-16H2,(H,23,25)(H,26,27);/q;+1/p-1