(diphenylmethyl) 7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-(7-oxidanyl-6-oxidanylidene-isoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]oxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-(7-oxidanyl-6-oxidanylidene-isoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2Z)-2-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethoxy)imino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(E)-3-(7-hydroxy-6-oxo-2-isoquinolyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(E)-3-(7-hydroxy-6-oxo-2-isoquinolinyl)prop-1-enyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[(E)-3-(7-hydroxy-6-oxoisoquinolin-2-yl)prop-1-enyl]-7-[[(2Z)-2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-(2-tert-butoxy-2-keto-1,1-dimethyl-ethyl)oximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-3-[(E)-3-(7-hydroxy-6-keto-2-isoquinolyl)prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C64H58N6O9S2 MolecularWeight: 1119.31012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C)(C)ON=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)C=CCN7C=CC8=CC(=O)C(=CC8=C7)O)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)C(C)(C)O/N=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)/C=C/CN7C=CC8=CC(=O)C(=CC8=C7)O)C(=O)OC(C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C64H58N6O9S2/c1-62(2,3)78-60(76)63(4,5)79-68-52(49-40-81-61(65-49)67-64(46-27-15-8-16-28-46,47-29-17-9-18-30-47)48-31-19-10-20-32-48)56(73)66-53-57(74)70-54(59(75)77-55(41-22-11-6-12-23-41)42-24-13-7-14-25-42)44(39-80-58(53)70)26-21-34-69-35-33-43-36-50(71)51(72)37-45(43)38-69/h6-33,35-38,40,53,55,58,72H,34,39H2,1-5H3,(H,65,67)(H,66,73)/b26-21+,68-52-