(2S,5R,6R)-6-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide

Systemtic Name: (2S,5R,6R)-6-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-phenyl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Openeye Name: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide CAS Name: (2S,5R,6R)-6-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide IUPAC Name: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Traditional Name: (2S,5R,6R)-6-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-phenyl-acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide Formula: C23H28N6O6S MolecularWeight: 516.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)N

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)N

InChI

InChI=1S/C23H28N6O6S/c1-4-27-10-11-28(20(34)19(27)33)22(35)26-13(12-8-6-5-7-9-12)17(31)25-14-18(32)29-15(16(24)30)23(2,3)36-21(14)29/h5-9,13-15,21H,4,10-11H2,1-3H3,(H2,24,30)(H,25,31)(H,26,35)/t13?,14-,15+,21-/m1/s1