cyclopentyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-oxidanylidene-13-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate

Systemtic Name: cyclopentyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-oxidanylidene-13-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate Openeye Name: cyclopentyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-oxo-13-[3-(2-thienyl)quinoxalin-2-yl]oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate CAS Name: N-[(9Z,13R,15S)-15-[[[(2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-2-oxo-13-[(3-thiophen-2-yl-2-quinoxalinyl)oxy]-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-2-oxo-13-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate Traditional Name: N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-keto-13-[3-(2-thienyl)quinoxalin-2-yl]oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid cyclopentyl ester Formula: C42H50N6O8S2 MolecularWeight: 831.0118

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(C4N3C(=O)C(CCCCCC=CC4)NC(=O)OC5CCCC5)OC6=NC7=CC=CC=C7N=C6C8=CC=CS8

Isomeric SMILES

C=C[C@@H]1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]3C[C@H](C4N3C(=O)C(CCCCC/C=C\C4)NC(=O)OC5CCCC5)OC6=NC7=CC=CC=C7N=C6C8=CC=CS8

InChI

InChI=1S/C42H50N6O8S2/c1-2-26-25-42(26,40(51)47-58(53,54)28-21-22-28)46-37(49)33-24-34(56-38-36(35-20-13-23-57-35)43-29-16-11-12-17-30(29)44-38)32-19-8-6-4-3-5-7-18-31(39(50)48(32)33)45-41(52)55-27-14-9-10-15-27/h2,6,8,11-13,16-17,20,23,26-28,31-34H,1,3-5,7,9-10,14-15,18-19,21-22,24-25H2,(H,45,52)(H,46,49)(H,47,51)/b8-6-/t26-,31?,32?,33+,34-,42?/m1/s1