(2S)-2-azanyl-3-oxidanyl-3-thiophen-2-yl-propanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-3-oxidanyl-3-thiophen-2-yl-propanoic acid hydrate Openeye Name: (2S)-2-amino-3-hydroxy-3-(2-thienyl)propanoic acid hydrate CAS Name: (2S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid hydrate IUPAC Name: (2S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid hydrate Traditional Name: (2S)-2-amino-3-hydroxy-3-(2-thienyl)propionic acid hydrate Formula: C7H11NO4S MolecularWeight: 205.23154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C(C(=O)O)N)O.O

Isomeric SMILES

C1=CSC(=C1)C([C@@H](C(=O)O)N)O.O

InChI

InChI=1S/C7H9NO3S.H2O/c8-5(7(10)11)6(9)4-2-1-3-12-4;/h1-3,5-6,9H,8H2,(H,10,11);1H2/t5-,6?;/m0./s1