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

Systemtic Name: sodium 6-[[2-(3,4-diacetyloxyphenyl)-2-[[4-ethyl-2,3-bis(oxidanylidene)piperazin-1-yl]carbonylamino]ethanoyl]amino]-6-formamido-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 6-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 6-[[2-(3,4-diacetyloxyphenyl)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-1-oxoethyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 6-[[2-(3,4-diacetyloxyphenyl)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 6-[[2-(3,4-diacetoxyphenyl)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]acetyl]amino]-6-formamido-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C28H31N6NaO12S MolecularWeight: 698.63351

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)[O-])NC=O.[Na+]

Isomeric SMILES

CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)NC3(C4N(C3=O)C(C(S4)(C)C)C(=O)[O-])NC=O.[Na+]

InChI

InChI=1S/C28H32N6O12S.Na/c1-6-32-9-10-33(22(40)21(32)39)26(44)30-18(15-7-8-16(45-13(2)36)17(11-15)46-14(3)37)20(38)31-28(29-12-35)24(43)34-19(23(41)42)27(4,5)47-25(28)34;/h7-8,11-12,18-19,25H,6,9-10H2,1-5H3,(H,29,35)(H,30,44)(H,31,38)(H,41,42);/q;+1/p-1