tert-butyl N-[(1R,3S,8Z)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-1-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-5-oxidanylidene-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-yl]carbamate

Systemtic Name: tert-butyl N-[(1R,3S,8Z)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-1-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-5-oxidanylidene-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-yl]carbamate Openeye Name: tert-butyl N-[(1R,3S,8Z)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-1-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-5-oxo-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-yl]carbamate CAS Name: N-[(1R,3S,8Z)-3-[[[(2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-1-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-5-oxo-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,3S,8Z)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-1-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-5-oxo-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-6-yl]carbamate Traditional Name: N-[(1R,3S,8Z)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-1-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-5-keto-2,3,6,7,10,10a-hexahydro-1H-pyrrol[1,2-a]azocin-6-yl]carbamic acid tert-butyl ester Formula: C41H51N7O9S2 MolecularWeight: 850.01514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC(N5C4CC=CCC(C5=O)NC(=O)OC(C)(C)C)C(=O)NC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7

Isomeric SMILES

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H](N5C4C/C=C\CC(C5=O)NC(=O)OC(C)(C)C)C(=O)NC6(C[C@H]6C=C)C(=O)NS(=O)(=O)C7CC7

InChI

InChI=1S/C41H51N7O9S2/c1-8-23-20-41(23,37(51)47-59(53,54)25-14-15-25)46-35(49)32-19-34(31-12-10-9-11-27(36(50)48(31)32)45-39(52)57-40(4,5)6)56-33-18-29(30-21-58-38(44-30)42-22(2)3)43-28-17-24(55-7)13-16-26(28)33/h8-10,13,16-18,21-23,25,27,31-32,34H,1,11-12,14-15,19-20H2,2-7H3,(H,42,44)(H,45,52)(H,46,49)(H,47,51)/b10-9-/t23-,27?,31?,32+,34-,41?/m1/s1