2-[2-(1-azanyl-2-oxidanyl-propyl)-4-(1H-imidazol-5-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-(1-azanyl-2-oxidanyl-propyl)-4-(1H-imidazol-5-ylmethylidene)-5-oxidanylidene-imidazol-1-yl]ethanoic acid Openeye Name: 2-[2-(1-amino-2-hydroxy-propyl)-4-(1H-imidazol-5-ylmethylene)-5-oxo-imidazol-1-yl]acetic acid CAS Name: 2-[2-(1-amino-2-hydroxypropyl)-4-(1H-imidazol-5-ylmethylidene)-5-oxo-1-imidazolyl]acetic acid IUPAC Name: 2-[2-(1-amino-2-hydroxypropyl)-4-(1H-imidazol-5-ylmethylidene)-5-oxoimidazol-1-yl]acetic acid Traditional Name: 2-[2-(1-amino-2-hydroxy-propyl)-4-(1H-imidazol-5-ylmethylene)-5-keto-2-imidazolin-1-yl]acetic acid Formula: C12H15N5O4 MolecularWeight: 293.2786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=NC(=CC2=CN=CN2)C(=O)N1CC(=O)O)N)O

Isomeric SMILES

CC(C(C1=NC(=CC2=CN=CN2)C(=O)N1CC(=O)O)N)O

InChI

InChI=1S/C12H15N5O4/c1-6(18)10(13)11-16-8(2-7-3-14-5-15-7)12(21)17(11)4-9(19)20/h2-3,5-6,10,18H,4,13H2,1H3,(H,14,15)(H,19,20)