sodium; (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanylpentanedioic acid

Systemtic Name: sodium; (2S)-2-azanyl-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-azanylpentanedioic acid Openeye Name: sodium; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-aminopentanedioic acid CAS Name: sodium; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-aminopentanedioic acid IUPAC Name: sodium; (2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid; (2S)-2-aminopentanedioic acid Traditional Name: sodium; (2S)-2-aminoglutaric acid; (2S)-2-amino-3-(4-hydroxyphenyl)propionic acid Formula: C14H20N2NaO7+ MolecularWeight: 351.30757

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.C(CC(=O)O)C(C(=O)O)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CC(=O)O)[C@@H](C(=O)O)N.[Na+]

InChI

InChI=1S/C9H11NO3.C5H9NO4.Na/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;6-3(5(9)10)1-2-4(7)8;/h1-4,8,11H,5,10H2,(H,12,13);3H,1-2,6H2,(H,7,8)(H,9,10);/q;;+1/t8-;3-;/m00./s1