cyclopentyl N-[(1R,3S)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-5-oxidanylidene-1-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonin-6-yl]carbamate

Systemtic Name: cyclopentyl N-[(1R,3S)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-5-oxidanylidene-1-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonin-6-yl]carbamate Openeye Name: cyclopentyl N-[(1R,3S)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-5-oxo-1-[3-(2-thienyl)quinoxalin-2-yl]oxy-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonin-6-yl]carbamate CAS Name: N-[(1R,3S)-3-[[[(2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-5-oxo-1-[(3-thiophen-2-yl-2-quinoxalinyl)oxy]-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonin-6-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(1R,3S)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-5-oxo-1-(3-thiophen-2-ylquinoxalin-2-yl)oxy-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonin-6-yl]carbamate Traditional Name: N-[(1R,3S)-3-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-5-keto-1-[3-(2-thienyl)quinoxalin-2-yl]oxy-1,2,3,6,7,8,9,10,11,11a-decahydropyrrol[1,2-a]azonin-6-yl]carbamic acid cyclopentyl ester Formula: C39H46N6O8S2 MolecularWeight: 790.94794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(C4N3C(=O)C(CCCCC4)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(CCCCC4)NC(=O)OC5CCCC5)OC6=NC7=CC=CC=C7N=C6C8=CC=CS8

InChI

InChI=1S/C39H46N6O8S2/c1-2-23-22-39(23,37(48)44-55(50,51)25-18-19-25)43-34(46)30-21-31(53-35-33(32-17-10-20-54-32)40-26-13-8-9-14-27(26)41-35)29-16-5-3-4-15-28(36(47)45(29)30)42-38(49)52-24-11-6-7-12-24/h2,8-10,13-14,17,20,23-25,28-31H,1,3-7,11-12,15-16,18-19,21-22H2,(H,42,49)(H,43,46)(H,44,48)/t23-,28?,29?,30+,31-,39?/m1/s1