2-azanyl-3-[(4-sulfophenyl)methylamino]butanedioic acid

Systemtic Name: 2-azanyl-3-[(4-sulfophenyl)methylamino]butanedioic acid Openeye Name: 2-amino-3-[(4-sulfophenyl)methylamino]butanedioic acid CAS Name: 2-amino-3-[(4-sulfophenyl)methylamino]butanedioic acid IUPAC Name: 2-amino-3-[(4-sulfophenyl)methylamino]butanedioic acid Traditional Name: 2-amino-3-[(4-sulfobenzyl)amino]succinic acid Formula: C11H14N2O7S MolecularWeight: 318.30306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(C(C(=O)O)N)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1CNC(C(C(=O)O)N)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C11H14N2O7S/c12-8(10(14)15)9(11(16)17)13-5-6-1-3-7(4-2-6)21(18,19)20/h1-4,8-9,13H,5,12H2,(H,14,15)(H,16,17)(H,18,19,20)