3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 3-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 3-(2-amino-3-hydroxy-3-oxo-propyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-[(2-amino-3-hydroxy-3-oxopropyl)thio]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 3-(2-amino-3-hydroxy-3-oxopropyl)sulfanyl-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-[(2-amino-3-hydroxy-3-keto-propyl)thio]-3-(1H-imidazol-5-yl)propionic acid Formula: C9H13N3O4S MolecularWeight: 259.28222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O4S/c10-5(9(15)16)3-17-7(1-8(13)14)6-2-11-4-12-6/h2,4-5,7H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)