(2S,4S)-2-azaniumyl-4-[(4-methylphenyl)methyl]pentanedioate

Systemtic Name: (2S,4S)-2-azaniumyl-4-[(4-methylphenyl)methyl]pentanedioate Openeye Name: (2S,4S)-2-azaniumyl-4-(p-tolylmethyl)pentanedioate CAS Name: (2S,4S)-2-ammonio-4-[(4-methylphenyl)methyl]pentanedioate IUPAC Name: (2S,4S)-2-azaniumyl-4-[(4-methylphenyl)methyl]pentanedioate Traditional Name: (2S,4S)-2-ammonio-4-(4-methylbenzyl)glutarate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(CC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[C@@H](C[C@@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C13H17NO4/c1-8-2-4-9(5-3-8)6-10(12(15)16)7-11(14)13(17)18/h2-5,10-11H,6-7,14H2,1H3,(H,15,16)(H,17,18)/p-1/t10-,11-/m0/s1