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

Systemtic Name: 2-[2-[[2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]ethanoyloxy]ethyl-trimethyl-azanium Openeye Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]-3-sulfanyl-propanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[2-[[2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethoxy]ethyl-trimethylammonium IUPAC Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]oxyethyl-trimethylazanium Traditional Name: 2-[2-[[2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]-3-mercapto-propanoyl]amino]acetyl]oxyethyl-trimethyl-ammonium Formula: C15H29N4O6S+ MolecularWeight: 393.47896

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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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N4O6S/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)/p+1