N-(2-azanyl-2-oxidanylidene-ethyl)-3,9-bis(oxidanylidene)-2-(sulfanylmethyl)-1,5-diazonane-6-carboxamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-3,9-bis(oxidanylidene)-2-(sulfanylmethyl)-1,5-diazonane-6-carboxamide Openeye Name: N-(2-amino-2-oxo-ethyl)-3,9-dioxo-2-(sulfanylmethyl)-1,5-diazonane-6-carboxamide CAS Name: N-(2-amino-2-oxoethyl)-2-(mercaptomethyl)-3,9-dioxo-1,5-diazonane-6-carboxamide IUPAC Name: N-(2-amino-2-oxoethyl)-3,9-dioxo-2-(sulfanylmethyl)-1,5-diazonane-6-carboxamide Traditional Name: N-(2-amino-2-keto-ethyl)-3,9-diketo-2-(mercaptomethyl)-1,5-diazonane-6-carboxamide Formula: C11H18N4O4S MolecularWeight: 302.35002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(C(=O)CNC1C(=O)NCC(=O)N)CS

Isomeric SMILES

C1CC(=O)NC(C(=O)CNC1C(=O)NCC(=O)N)CS

InChI

InChI=1S/C11H18N4O4S/c12-9(17)4-14-11(19)6-1-2-10(18)15-7(5-20)8(16)3-13-6/h6-7,13,20H,1-5H2,(H2,12,17)(H,14,19)(H,15,18)