diazanium (2S,4R)-2-azanyl-2-methyl-4-(phenylmethyl)pentanedioate

Systemtic Name: diazanium (2S,4R)-2-azanyl-2-methyl-4-(phenylmethyl)pentanedioate Openeye Name: diammonium (2S,4R)-2-amino-4-benzyl-2-methyl-pentanedioate CAS Name: diammonium (2S,4R)-2-amino-2-methyl-4-(phenylmethyl)pentanedioate IUPAC Name: diazanium (2S,4R)-2-amino-4-benzyl-2-methylpentanedioate Traditional Name: diammonium (2S,4R)-2-amino-4-benzyl-2-methyl-glutarate Formula: C13H23N3O4 MolecularWeight: 285.33942

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CC1=CC=CC=C1)C(=O)[O-])(C(=O)[O-])N.[NH4+].[NH4+]

Isomeric SMILES

C[C@](C[C@@H](CC1=CC=CC=C1)C(=O)[O-])(C(=O)[O-])N.[NH4+].[NH4+]

InChI

InChI=1S/C13H17NO4.2H3N/c1-13(14,12(17)18)8-10(11(15)16)7-9-5-3-2-4-6-9;;/h2-6,10H,7-8,14H2,1H3,(H,15,16)(H,17,18);2*1H3/t10-,13+;;/m1../s1