2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[carboxy-[2-(4-hydroxyphenyl)ethyl]amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C15H17N3O5 MolecularWeight: 319.31258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN(C(CC2=CN=CN2)C(=O)O)C(=O)O)O

Isomeric SMILES

C1=CC(=CC=C1CCN(C(CC2=CN=CN2)C(=O)O)C(=O)O)O

InChI

InChI=1S/C15H17N3O5/c19-12-3-1-10(2-4-12)5-6-18(15(22)23)13(14(20)21)7-11-8-16-9-17-11/h1-4,8-9,13,19H,5-7H2,(H,16,17)(H,20,21)(H,22,23)