(phenylmethyl) 6-azanyl-6-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-6-[[2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]-2-thiophen-2-yl-ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-amino-6-[[2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-amino-6-[[2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxo-2-thiophen-2-ylethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-6-[[2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-thiophen-2-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-amino-6-[[2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-(2-thienyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C28H32N6O7S2 MolecularWeight: 628.71968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)OCC5=CC=CC=C5)N

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CS2)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)OCC5=CC=CC=C5)N

InChI

InChI=1S/C28H32N6O7S2/c1-4-32-12-13-33(22(37)21(32)36)26(40)30-18(17-11-8-14-42-17)20(35)31-28(29)24(39)34-19(27(2,3)43-25(28)34)23(38)41-15-16-9-6-5-7-10-16/h5-11,14,18-19,25H,4,12-13,15,29H2,1-3H3,(H,30,40)(H,31,35)