(2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-azanyl-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 2-amino-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 2-amino-3-(1H-imidazol-5-yl)propionic acid Formula: C11H18N4O5S MolecularWeight: 318.34942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.C1=C(NC=N1)CC(C(=O)O)N

InChI

InChI=1S/C6H9N3O2.C5H9NO3S/c7-5(6(10)11)1-4-2-8-3-9-4;1-3(7)6-4(2-10)5(8)9/h2-3,5H,1,7H2,(H,8,9)(H,10,11);4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1