3-(1H-imidazol-5-yl)-2-(3-sulfanylpropanoylamino)propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-(3-sulfanylpropanoylamino)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(3-mercapto-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-(3-sulfanylpropanoylamino)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(3-mercaptopropanoylamino)propionic acid Formula: C9H13N3O3S MolecularWeight: 243.28282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N3O3S/c13-8(1-2-16)12-7(9(14)15)3-6-4-10-5-11-6/h4-5,7,16H,1-3H2,(H,10,11)(H,12,13)(H,14,15)