2-[[4-(4-oxidanyl-4-oxidanylidene-butanoyl)-1,4-thiazepan-5-yl]carbonylamino]ethanoyloxymethylboron

Systemtic Name: 2-[[4-(4-oxidanyl-4-oxidanylidene-butanoyl)-1,4-thiazepan-5-yl]carbonylamino]ethanoyloxymethylboron Openeye Name: [2-[[4-(4-hydroxy-4-oxo-butanoyl)-1,4-thiazepane-5-carbonyl]amino]acetyl]oxymethylboron CAS Name: [2-[[[4-(4-hydroxy-1,4-dioxobutyl)-1,4-thiazepan-5-yl]-oxomethyl]amino]-1-oxoethoxy]methylboron IUPAC Name: [2-[[4-(4-hydroxy-4-oxobutanoyl)-1,4-thiazepane-5-carbonyl]amino]acetyl]oxymethylboron Traditional Name: [2-[[4-(4-hydroxy-4-keto-butanoyl)-1,4-thiazepane-5-carbonyl]amino]acetyl]oxymethylboron Formula: C13H19BN2O6S MolecularWeight: 342.17576

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Descriptors Computed from Structure

Canonical SMILES:

[B]COC(=O)CNC(=O)C1CCSCCN1C(=O)CCC(=O)O

Isomeric SMILES

[B]COC(=O)CNC(=O)C1CCSCCN1C(=O)CCC(=O)O

InChI

InChI=1S/C13H19BN2O6S/c14-8-22-12(20)7-15-13(21)9-3-5-23-6-4-16(9)10(17)1-2-11(18)19/h9H,1-8H2,(H,15,21)(H,18,19)