methoxymethyl (6R,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methoxymethyl (6R,7S)-3-(aminocarbonyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxidanylidene-hexanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-6-oxo-5-(p-tolylsulfonylamino)hexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-1,6-dioxohexyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methoxymethyl ester IUPAC Name: methoxymethyl (6R,7S)-3-(carbamoyloxymethyl)-7-methoxy-7-[[6-(methoxymethoxy)-5-[(4-methylphenyl)sulfonylamino]-6-oxohexanoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7S)-3-(carbamoyloxymethyl)-8-keto-7-[[6-keto-6-(methoxymethoxy)-5-(tosylamino)hexanoyl]amino]-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methoxymethyl ester Formula: C27H36N4O13S2 MolecularWeight: 688.72374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(=O)NC2(C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC)OC)C(=O)OCOC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCCC(=O)N[C@]2([C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)OCOC)OC)C(=O)OCOC

InChI

InChI=1S/C27H36N4O13S2/c1-16-8-10-18(11-9-16)46(37,38)30-19(22(33)43-14-39-2)6-5-7-20(32)29-27(41-4)24(35)31-21(23(34)44-15-40-3)17(12-42-26(28)36)13-45-25(27)31/h8-11,19,25,30H,5-7,12-15H2,1-4H3,(H2,28,36)(H,29,32)/t19?,25-,27+/m1/s1