2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-(1,4-diazepan-1-yl)-3-(1H-imidazol-5-yl)propionic acid Formula: C11H18N4O2 MolecularWeight: 238.28622

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1CNCCN(C1)C(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C11H18N4O2/c16-11(17)10(6-9-7-13-8-14-9)15-4-1-2-12-3-5-15/h7-8,10,12H,1-6H2,(H,13,14)(H,16,17)