3-(1H-imidazol-5-yl)-2-(phenoxycarbonylamino)propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(phenoxycarbonylamino)propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-(phenoxycarbonylamino)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[[oxo(phenoxy)methyl]amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-(phenoxycarbonylamino)propanoic acid Traditional Name: 2-(carbophenoxyamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H13N3O4/c17-12(18)11(6-9-7-14-8-15-9)16-13(19)20-10-4-2-1-3-5-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,19)(H,17,18)