2-[2-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]ethanoyloxy]ethyl-trimethyl-azanium bromide

Systemtic Name: 2-[2-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]ethanoyloxy]ethyl-trimethyl-azanium bromide Openeye Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium bromide CAS Name: 2-[2-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethoxy]ethyl-trimethylammonium bromide IUPAC Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]oxyethyl-trimethylazanium bromide Traditional Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-mercapto-propanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium bromide Formula: C15H29BrN4O6S MolecularWeight: 473.38296

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N.[Br-]

Isomeric SMILES

C[N+](C)(C)CCOC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N.[Br-]

InChI

InChI=1S/C15H28N4O6S.BrH/c1-19(2,3)6-7-25-13(21)8-17-14(22)11(9-26)18-12(20)5-4-10(16)15(23)24;/h10-11H,4-9,16H2,1-3H3,(H3-,17,18,20,22,23,24,26);1H