3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-methylsulfanyl-4-oxidanylidene-azetidine-1-sulfonate

Systemtic Name: 3-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-2-methylsulfanyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: 3-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-methylsulfanyl-4-oxo-azetidine-1-sulfonate CAS Name: 3-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-2-(methylthio)-4-oxo-1-azetidinesulfonate IUPAC Name: 3-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-2-methylsulfanyl-4-oxoazetidine-1-sulfonate Traditional Name: 3-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-2-keto-4-(methylthio)azetidine-1-sulfonate Formula: C19H22N5O8S2- MolecularWeight: 512.53668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(N(C3=O)S(=O)(=O)[O-])SC

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C(N(C3=O)S(=O)(=O)[O-])SC

InChI

InChI=1S/C19H23N5O8S2/c1-3-22-9-10-23(17(28)16(22)27)19(29)21-12(11-7-5-4-6-8-11)14(25)20-13-15(26)24(18(13)33-2)34(30,31)32/h4-8,12-13,18H,3,9-10H2,1-2H3,(H,20,25)(H,21,29)(H,30,31,32)/p-1