(2S)-2-[(2R)-4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]hexanoate

Systemtic Name: (2S)-2-[(2R)-4-oxidanylidene-4-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]hexanoate Openeye Name: (2S)-2-[(1R)-1-methyl-3-oxo-3-(1,3,4-thiadiazol-2-ylamino)propyl]hexanoate CAS Name: (2S)-2-[(2R)-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]hexanoate IUPAC Name: (2S)-2-[(2R)-4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butan-2-yl]hexanoate Traditional Name: (2S)-2-[(1R)-3-keto-1-methyl-3-(1,3,4-thiadiazol-2-ylamino)propyl]hexanoate Formula: C12H18N3O3S- MolecularWeight: 284.35462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)CC(=O)NC1=NN=CS1)C(=O)[O-]

Isomeric SMILES

CCCC[C@@H]([C@H](C)CC(=O)NC1=NN=CS1)C(=O)[O-]

InChI

InChI=1S/C12H19N3O3S/c1-3-4-5-9(11(17)18)8(2)6-10(16)14-12-15-13-7-19-12/h7-9H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)/p-1/t8-,9+/m1/s1