(phenylmethyl) 6-formamido-3,3-dimethyl-6-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (phenylmethyl) 6-formamido-3,3-dimethyl-6-[[2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-(4-phenylmethoxycarbonyloxyphenyl)ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzyl 6-[[2-(4-benzyloxycarbonyloxyphenyl)-2-[(3-methylsulfonyl-2-oxo-imidazolidine-1-carbonyl)amino]acetyl]amino]-6-formamido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 6-formamido-3,3-dimethyl-6-[[2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxo-2-(4-phenylmethoxycarbonyloxyphenyl)ethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-formamido-3,3-dimethyl-6-[[2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-(4-phenylmethoxycarbonyloxyphenyl)acetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 6-[[2-(4-carbobenzoxyoxyphenyl)-2-[(2-keto-3-mesyl-imidazolidine-1-carbonyl)amino]acetyl]amino]-6-formamido-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester Formula: C37H38N6O12S2 MolecularWeight: 822.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(NC=O)NC(=O)C(C3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4)NC(=O)N5CCN(C5=O)S(=O)(=O)C)C(=O)OCC6=CC=CC=C6)C

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(NC=O)NC(=O)C(C3=CC=C(C=C3)OC(=O)OCC4=CC=CC=C4)NC(=O)N5CCN(C5=O)S(=O)(=O)C)C(=O)OCC6=CC=CC=C6)C

InChI

InChI=1S/C37H38N6O12S2/c1-36(2)28(30(46)53-20-23-10-6-4-7-11-23)43-31(47)37(38-22-44,32(43)56-36)40-29(45)27(39-33(48)41-18-19-42(34(41)49)57(3,51)52)25-14-16-26(17-15-25)55-35(50)54-21-24-12-8-5-9-13-24/h4-17,22,27-28,32H,18-21H2,1-3H3,(H,38,44)(H,39,48)(H,40,45)