4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-4-oxobutanoic acid Traditional Name: 4-amino-4-keto-2-[(1-mesylisonipecotoyl)amino]butyric acid Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C11H19N3O6S/c1-21(19,20)14-4-2-7(3-5-14)10(16)13-8(11(17)18)6-9(12)15/h7-8H,2-6H2,1H3,(H2,12,15)(H,13,16)(H,17,18)