(diphenylmethyl) (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]prop-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]prop-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-2-[2-(tritylamino)thiazol-4-yl]prop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]prop-2-enyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-2-[2-(tritylamino)-1,3-thiazol-4-yl]prop-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-3-dimethoxyphosphoryl-2-[2-(tritylamino)thiazol-4-yl]acryloyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C49H44N5O9PS2 MolecularWeight: 942.005521

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Descriptors Computed from Structure

Canonical SMILES:

COP(=O)(C=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5C6N(C5=O)C(=C(CS6)COC(=O)N)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)OC

Isomeric SMILES

COP(=O)(/C=C(/C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)\C(=O)N[C@H]5[C@@H]6N(C5=O)C(=C(CS6)COC(=O)N)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)OC

InChI

InChI=1S/C49H44N5O9PS2/c1-60-64(59,61-2)29-38(39-31-66-48(51-39)53-49(35-22-12-5-13-23-35,36-24-14-6-15-25-36)37-26-16-7-17-27-37)43(55)52-40-44(56)54-41(34(28-62-47(50)58)30-65-45(40)54)46(57)63-42(32-18-8-3-9-19-32)33-20-10-4-11-21-33/h3-27,29,31,40,42,45H,28,30H2,1-2H3,(H2,50,58)(H,51,53)(H,52,55)/b38-29-/t40-,45-/m1/s1