(diphenylmethyl) (6R,7R)-3-(aminocarbonyloxymethyl)-7-[[(Z)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-phenyl-but-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)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-phenyl-but-2-enoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl (6R,7R)-7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-phenyl-but-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-(carbamoyloxymethyl)-7-[[(Z)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-thiazolyl]-1-oxo-4-phenylbut-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)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]-4-phenylbut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-7-[[(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]-4-phenyl-but-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C40H39N5O8S2 MolecularWeight: 781.89636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC(=CS1)C(=CCC2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(=C(CS4)COC(=O)N)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)/C(=C/CC2=CC=CC=C2)/C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)COC(=O)N)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C40H39N5O8S2/c1-40(2,3)53-39(50)44-38-42-29(23-55-38)28(20-19-24-13-7-4-8-14-24)33(46)43-30-34(47)45-31(27(21-51-37(41)49)22-54-35(30)45)36(48)52-32(25-15-9-5-10-16-25)26-17-11-6-12-18-26/h4-18,20,23,30,32,35H,19,21-22H2,1-3H3,(H2,41,49)(H,43,46)(H,42,44,50)/b28-20-/t30-,35-/m1/s1