(3S)-3-azanyl-4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid hydrate

Systemtic Name: (3S)-3-azanyl-4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid hydrate Openeye Name: (3S)-3-amino-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid hydrate CAS Name: (3S)-3-amino-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid hydrate IUPAC Name: (3S)-3-amino-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoic acid hydrate Traditional Name: (3S)-3-amino-4-keto-4-(1,3,4-thiadiazol-2-ylamino)butyric acid hydrate Formula: C6H10N4O4S MolecularWeight: 234.233

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Descriptors Computed from Structure

Canonical SMILES:

C1=NN=C(S1)NC(=O)C(CC(=O)O)N.O

Isomeric SMILES

C1=NN=C(S1)NC(=O)[C@H](CC(=O)O)N.O

InChI

InChI=1S/C6H8N4O3S.H2O/c7-3(1-4(11)12)5(13)9-6-10-8-2-14-6;/h2-3H,1,7H2,(H,11,12)(H,9,10,13);1H2/t3-;/m0./s1