2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: 2-azanyl-2-(1H-imidazol-5-ylmethyl)-3-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-5-sulfanyl-pentanoic acid CAS Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-5-mercapto-3-oxopentanoic acid IUPAC Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-3-oxo-5-sulfanylpentanoic acid Traditional Name: 2-amino-2-(1H-imidazol-5-ylmethyl)-3-keto-5-mercapto-valeric acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)CCS)(C(=O)O)N

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)CCS)(C(=O)O)N

InChI

InChI=1S/C9H13N3O3S/c10-9(8(14)15,7(13)1-2-16)3-6-4-11-5-12-6/h4-5,16H,1-3,10H2,(H,11,12)(H,14,15)