2,4-bis(azanyl)-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid

Systemtic Name: 2,4-bis(azanyl)-3-oxidanylidene-2-(phenylmethyl)hexanedioic acid Openeye Name: 2,4-diamino-2-benzyl-3-oxo-hexanedioic acid CAS Name: 2,4-diamino-3-oxo-2-(phenylmethyl)hexanedioic acid IUPAC Name: 2,4-diamino-2-benzyl-3-oxohexanedioic acid Traditional Name: 2,4-diamino-2-benzyl-3-keto-adipic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CC(=O)O)N)(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CC(=O)O)N)(C(=O)O)N

InChI

InChI=1S/C13H16N2O5/c14-9(6-10(16)17)11(18)13(15,12(19)20)7-8-4-2-1-3-5-8/h1-5,9H,6-7,14-15H2,(H,16,17)(H,19,20)