[2-methoxycarbonyloxy-3-(methoxymethyl)-4-[[(2E)-2-(1-methoxypropan-2-yloxyimino)ethanoyl]amino]-8-oxidanylidene-4-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] 2,2-dimethylbutanoate

Systemtic Name: [2-methoxycarbonyloxy-3-(methoxymethyl)-4-[[(2E)-2-(1-methoxypropan-2-yloxyimino)ethanoyl]amino]-8-oxidanylidene-4-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] 2,2-dimethylbutanoate Openeye Name: [2-methoxycarbonyloxy-3-(methoxymethyl)-4-[[(2E)-2-(2-methoxy-1-methyl-ethoxy)iminoacetyl]amino]-8-oxo-4-[2-(tritylamino)thiazol-4-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] 2,2-dimethylbutanoate CAS Name: 2,2-dimethylbutanoic acid [2-methoxycarbonyloxy-3-(methoxymethyl)-4-[[(2E)-2-(1-methoxypropan-2-yloxyimino)-1-oxoethyl]amino]-8-oxo-4-[2-[(triphenylmethyl)amino]-4-thiazolyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] ester IUPAC Name: [2-methoxycarbonyloxy-3-(methoxymethyl)-4-[[(2E)-2-(1-methoxypropan-2-yloxyimino)acetyl]amino]-8-oxo-4-[2-(tritylamino)-1,3-thiazol-4-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] 2,2-dimethylbutanoate Traditional Name: 2,2-dimethylbutyric acid [2-carbomethoxyoxy-8-keto-3-(methoxymethyl)-4-[[(2E)-2-(2-methoxy-1-methyl-ethyl)oximinoacetyl]amino]-4-[2-(tritylamino)thiazol-4-yl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl] ester Formula: C44H49N5O10S2 MolecularWeight: 872.01736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)OC1C2N(C1=O)C(=C(C(S2)(C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)C=NOC(C)COC)COC)OC(=O)OC

Isomeric SMILES

CCC(C)(C)C(=O)OC1C2N(C1=O)C(=C(C(S2)(C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)NC(=O)/C=N/OC(C)COC)COC)OC(=O)OC

InChI

InChI=1S/C44H49N5O10S2/c1-8-42(3,4)39(52)57-35-36(51)49-37(58-41(53)56-7)32(26-55-6)44(61-38(35)49,47-34(50)24-45-59-28(2)25-54-5)33-27-60-40(46-33)48-43(29-18-12-9-13-19-29,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-24,27-28,35,38H,8,25-26H2,1-7H3,(H,46,48)(H,47,50)/b45-24+