2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-2-iodanyl-3-methyl-pentanoic acid

Systemtic Name: 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; 2-azanyl-2-iodanyl-3-methyl-pentanoic acid Openeye Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-2-iodo-3-methyl-pentanoic acid CAS Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-2-iodo-3-methylpentanoic acid IUPAC Name: 2-amino-3-(1H-imidazol-5-yl)propanoic acid; 2-amino-2-iodo-3-methylpentanoic acid Traditional Name: 2-amino-3-(1H-imidazol-5-yl)propionic acid; 2-amino-2-iodo-3-methyl-valeric acid Formula: C12H21IN4O4 MolecularWeight: 412.22401

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)(N)I.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)O)(N)I.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C6H12INO2.C6H9N3O2/c1-3-4(2)6(7,8)5(9)10;7-5(6(10)11)1-4-2-8-3-9-4/h4H,3,8H2,1-2H3,(H,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11)