3-azanyl-3,4-bis(carboxymethyl)-4-phenylazanyl-hexanedioic acid

Systemtic Name: 3-azanyl-3,4-bis(carboxymethyl)-4-phenylazanyl-hexanedioic acid Openeye Name: 3-amino-4-anilino-3,4-bis(carboxymethyl)hexanedioic acid CAS Name: 3-amino-4-anilino-3,4-bis(carboxymethyl)hexanedioic acid IUPAC Name: 3-amino-4-anilino-3,4-bis(carboxymethyl)hexanedioic acid Traditional Name: 3-amino-4-anilino-3,4-bis(carboxymethyl)adipic acid Formula: C16H20N2O8 MolecularWeight: 368.3386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O8/c17-15(6-11(19)20,7-12(21)22)16(8-13(23)24,9-14(25)26)18-10-4-2-1-3-5-10/h1-5,18H,6-9,17H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)