2-azanyl-4-sulfanyl-butanoic acid hydrate

Systemtic Name: 2-azanyl-4-sulfanyl-butanoic acid hydrate Openeye Name: 2-amino-4-sulfanyl-butanoic acid hydrate CAS Name: 2-amino-4-mercaptobutanoic acid hydrate IUPAC Name: 2-amino-4-sulfanylbutanoic acid hydrate Traditional Name: 2-amino-4-mercapto-butyric acid hydrate Formula: C4H11NO3S MolecularWeight: 153.20004

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)C(C(=O)O)N.O

Isomeric SMILES

C(CS)C(C(=O)O)N.O

InChI

InChI=1S/C4H9NO2S.H2O/c5-3(1-2-8)4(6)7;/h3,8H,1-2,5H2,(H,6,7);1H2