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

Systemtic Name: (2S)-2-azanyl-3-(1H-imidazol-5-yl)propanoic acid; (2R)-3-sulfanyl-2-thionitroso-propanoic acid Openeye Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-3-sulfanyl-2-thionitroso-propanoic acid CAS Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-3-mercapto-2-thionitrosopropanoic acid IUPAC Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid; (2R)-3-sulfanyl-2-thionitrosopropanoic acid Traditional Name: (2S)-2-amino-3-(1H-imidazol-5-yl)propionic acid; (2R)-3-mercapto-2-thionitroso-propionic acid Formula: C9H14N4O4S2 MolecularWeight: 306.36186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H9N3O2.C3H5NO2S2/c7-5(6(10)11)1-4-2-8-3-9-4;5-3(6)2(1-7)4-8/h2-3,5H,1,7H2,(H,8,9)(H,10,11);2,7H,1H2,(H,5,6)/t5-;2-/m00/s1