(2S)-2-(3-imidazol-1-ylpropanoylamino)-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropanoylamino)-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-(3-imidazol-1-ylpropanoylamino)-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[3-(1-imidazolyl)-1-oxopropyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-(3-imidazol-1-ylpropanoylamino)-4-methylsulfonylbutanoate Traditional Name: (2S)-2-(3-imidazol-1-ylpropanoylamino)-4-mesyl-butyrate Formula: C11H16N3O5S- MolecularWeight: 302.32684

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CCN1C=CN=C1

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CCN1C=CN=C1

InChI

InChI=1S/C11H17N3O5S/c1-20(18,19)7-3-9(11(16)17)13-10(15)2-5-14-6-4-12-8-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,13,15)(H,16,17)/p-1/t9-/m0/s1