[(2S)-4-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-1H-imidazol-2-yl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]-trimethyl-azanium iodide

Systemtic Name: [(2S)-4-[5-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]-1H-imidazol-2-yl]-1-oxidanyl-1-oxidanylidene-butan-2-yl]-trimethyl-azanium iodide Openeye Name: [(1S)-3-[5-[(2S)-2-amino-3-hydroxy-3-oxo-propyl]-1H-imidazol-2-yl]-1-carboxy-propyl]-trimethyl-ammonium iodide CAS Name: [(2S)-4-[5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-1H-imidazol-2-yl]-1-hydroxy-1-oxobutan-2-yl]-trimethylammonium iodide IUPAC Name: [(2S)-4-[5-[(2S)-2-amino-3-hydroxy-3-oxopropyl]-1H-imidazol-2-yl]-1-hydroxy-1-oxobutan-2-yl]-trimethylazanium iodide Traditional Name: [(1S)-3-[5-[(2S)-2-amino-3-hydroxy-3-keto-propyl]-1H-imidazol-2-yl]-1-carboxy-propyl]-trimethyl-ammonium iodide Formula: C13H23IN4O4 MolecularWeight: 426.25059

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(CCC1=NC=C(N1)CC(C(=O)O)N)C(=O)O.[I-]

Isomeric SMILES

C[N+](C)(C)[C@@H](CCC1=NC=C(N1)C[C@@H](C(=O)O)N)C(=O)O.[I-]

InChI

InChI=1S/C13H22N4O4.HI/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19;/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21);1H/t9-,10-;/m0./s1