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

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(phenylcarbonyloxycarbonylamino)propanoic acid Openeye Name: 2-(benzoyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[benzoyloxy(oxo)methyl]amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(benzoyloxycarbonylamino)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(benzoyloxycarbonylamino)-3-(1H-imidazol-5-yl)propionic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5/c18-12(19)11(6-10-7-15-8-16-10)17-14(21)22-13(20)9-4-2-1-3-5-9/h1-5,7-8,11H,6H2,(H,15,16)(H,17,21)(H,18,19)