4-methylsulfonyl-2-[[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[10-oxidanylidene-9-(sulfanylmethyl)azecan-2-yl]carbonylamino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]amino]butanoic acid CAS Name: 2-[[[9-(mercaptomethyl)-10-oxo-2-azecanyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 4-methylsulfonyl-2-[[10-oxo-9-(sulfanylmethyl)azecane-2-carbonyl]amino]butanoic acid Traditional Name: 2-[[10-keto-9-(mercaptomethyl)azecane-2-carbonyl]amino]-4-mesyl-butyric acid Formula: C16H28N2O6S2 MolecularWeight: 408.53332

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1CCCCCCC(C(=O)N1)CS

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1CCCCCCC(C(=O)N1)CS

InChI

InChI=1S/C16H28N2O6S2/c1-26(23,24)9-8-13(16(21)22)18-15(20)12-7-5-3-2-4-6-11(10-25)14(19)17-12/h11-13,25H,2-10H2,1H3,(H,17,19)(H,18,20)(H,21,22)