6-[[2-[[6-(hydroxymethyl)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy-methoxycarbonyl-amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: 6-[[2-[[6-(hydroxymethyl)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]carbonyloxy-methoxycarbonyl-amino]-2-(4-hydroxyphenyl)ethanoyl]amino]-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: 6-[[2-[[6-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxy-methoxycarbonyl-amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: 6-[[2-[[[6-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptan-2-yl]-oxomethoxy]-methoxycarbonylamino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: 6-[[2-[[6-(hydroxymethyl)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]oxy-methoxycarbonylamino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: 6-[[2-[carbomethoxy-(4,4,7-triketo-3,3-dimethyl-6-methylol-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxy-amino]-2-(4-hydroxyphenyl)acetyl]amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C27H32N4O13S2 MolecularWeight: 684.69198

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N(C(=O)OC)OC(=O)C4C(S(=O)(=O)C5N4C(=O)C5CO)(C)C)C(=O)O)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N(C(=O)OC)OC(=O)C4C(S(=O)(=O)C5N4C(=O)C5CO)(C)C)C(=O)O)C

InChI

InChI=1S/C27H32N4O13S2/c1-26(2)16(23(37)38)29-20(36)14(21(29)45-26)28-18(34)15(11-6-8-12(33)9-7-11)31(25(40)43-5)44-24(39)17-27(3,4)46(41,42)22-13(10-32)19(35)30(17)22/h6-9,13-17,21-22,32-33H,10H2,1-5H3,(H,28,34)(H,37,38)