(2S,3R)-2-azanyl-3-oxidanyl-butanoic acid; 5-phenyl-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (2S,3R)-2-azanyl-3-oxidanyl-butanoic acid; 5-phenyl-2-sulfanylidene-imidazolidin-4-one Openeye Name: (2S,3R)-2-amino-3-hydroxy-butanoic acid; 5-phenyl-2-thioxo-imidazolidin-4-one CAS Name: (2S,3R)-2-amino-3-hydroxybutanoic acid; 5-phenyl-2-sulfanylidene-4-imidazolidinone IUPAC Name: (2S,3R)-2-amino-3-hydroxybutanoic acid; 5-phenyl-2-sulfanylideneimidazolidin-4-one Traditional Name: (2S,3R)-2-amino-3-hydroxy-butyric acid; 5-phenyl-2-thioxo-4-imidazolidinone Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)N)O.C1=CC=C(C=C1)C2C(=O)NC(=S)N2

Isomeric SMILES

C[C@H]([C@@H](C(=O)O)N)O.C1=CC=C(C=C1)C2C(=O)NC(=S)N2

InChI

InChI=1S/C9H8N2OS.C4H9NO3/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6;1-2(6)3(5)4(7)8/h1-5,7H,(H2,10,11,12,13);2-3,6H,5H2,1H3,(H,7,8)/t;2-,3+/m.1/s1