carboxymethyl-[2-oxidanylidene-2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethyl]azanium bromide

Systemtic Name: carboxymethyl-[2-oxidanylidene-2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethylamino]ethyl]azanium bromide Openeye Name: [2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]-2-oxo-ethyl]-(carboxymethyl)ammonium bromide CAS Name: carboxymethyl-[2-oxo-2-[2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethylamino]ethyl]ammonium bromide IUPAC Name: [2-[2-[(2-benzylsulfanylacetyl)amino]ethylamino]-2-oxoethyl]-(carboxymethyl)azanium bromide Traditional Name: [2-[2-[[2-(benzylthio)acetyl]amino]ethylamino]-2-keto-ethyl]-(carboxymethyl)ammonium bromide Formula: C15H22BrN3O4S MolecularWeight: 420.32188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(=O)NCCNC(=O)C[NH2+]CC(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CSCC(=O)NCCNC(=O)C[NH2+]CC(=O)O.[Br-]

InChI

InChI=1S/C15H21N3O4S.BrH/c19-13(8-16-9-15(21)22)17-6-7-18-14(20)11-23-10-12-4-2-1-3-5-12;/h1-5,16H,6-11H2,(H,17,19)(H,18,20)(H,21,22);1H