4-[[1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylic acid

Systemtic Name: 4-[[1-(3-methylbutylamino)-1-oxidanylidene-hexan-2-yl]carbamoyl]-2,2-bis(oxidanylidene)-1,3,2-dioxathiolane-4-carboxylic acid Openeye Name: 4-[1-(isopentylcarbamoyl)pentylcarbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid CAS Name: 4-[[[1-(3-methylbutylamino)-1-oxohexan-2-yl]amino]-oxomethyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid IUPAC Name: 4-[[1-(3-methylbutylamino)-1-oxohexan-2-yl]carbamoyl]-2,2-dioxo-1,3,2-dioxathiolane-4-carboxylic acid Traditional Name: 4-[1-(isoamylcarbamoyl)pentylcarbamoyl]-2,2-diketo-1,3,2-dioxathiolane-4-carboxylic acid Formula: C15H26N2O8S MolecularWeight: 394.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCCC(C)C)NC(=O)C1(COS(=O)(=O)O1)C(=O)O

Isomeric SMILES

CCCCC(C(=O)NCCC(C)C)NC(=O)C1(COS(=O)(=O)O1)C(=O)O

InChI

InChI=1S/C15H26N2O8S/c1-4-5-6-11(12(18)16-8-7-10(2)3)17-13(19)15(14(20)21)9-24-26(22,23)25-15/h10-11H,4-9H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)