N-[(12S,13S)-13-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-oxidanylidene-12-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide

Systemtic Name: N-[(12S,13S)-13-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-2-oxidanylidene-12-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide Openeye Name: N-[(12S,13S)-13-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-oxo-12-[2-(2-pyridyl)thieno[3,2-d]pyrimidin-4-yl]oxy-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-isoxazole-5-carboxamide CAS Name: N-[(12S,13S)-13-[[[(2S)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-2-oxo-12-[[2-(2-pyridinyl)-4-thieno[3,2-d]pyrimidinyl]oxy]-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-5-isoxazolecarboxamide IUPAC Name: N-[(12S,13S)-13-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-2-oxo-12-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-1,2-oxazole-5-carboxamide Traditional Name: N-[(12S,13S)-13-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-2-keto-12-[2-(2-pyridyl)thieno[3,2-d]pyrimidin-4-yl]oxy-1-azabicyclo[9.2.1]tetradecan-3-yl]-3-methyl-isoxazole-5-carboxamide Formula: C39H44N8O8S2 MolecularWeight: 816.94546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C(=O)NC2CCCCCCCC3CN(C2=O)C(C3OC4=NC(=NC5=C4SC=C5)C6=CC=CC=N6)C(=O)NC7(CC7C=C)C(=O)NS(=O)(=O)C8CC8

Isomeric SMILES

CC1=NOC(=C1)C(=O)NC2CCCCCCCC3CN(C2=O)[C@@H]([C@H]3OC4=NC(=NC5=C4SC=C5)C6=CC=CC=N6)C(=O)NC7(C[C@H]7C=C)C(=O)NS(=O)(=O)C8CC8

InChI

InChI=1S/C39H44N8O8S2/c1-3-24-20-39(24,38(51)46-57(52,53)25-14-15-25)44-35(49)30-31(54-36-32-26(16-18-56-32)41-33(43-36)27-12-9-10-17-40-27)23-11-7-5-4-6-8-13-28(37(50)47(30)21-23)42-34(48)29-19-22(2)45-55-29/h3,9-10,12,16-19,23-25,28,30-31H,1,4-8,11,13-15,20-21H2,2H3,(H,42,48)(H,44,49)(H,46,51)/t23?,24-,28?,30+,31+,39?/m1/s1