tert-butyl N-[(9Z,13R,15S)-15-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methyl-cyclopropyl]carbamoyl]-2-oxidanylidene-13-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methyl-cyclopropyl]carbamoyl]-2-oxidanylidene-13-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate Openeye Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methyl-cyclopropyl]carbamoyl]-2-oxo-13-[2-(2-pyridyl)thieno[3,2-d]pyrimidin-4-yl]oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate CAS Name: N-[(9Z,13R,15S)-15-[[[(2R)-1-[(cyclopropylsulfonylamino)-oxomethyl]-2-methylcyclopropyl]amino]-oxomethyl]-2-oxo-13-[[2-(2-pyridinyl)-4-thieno[3,2-d]pyrimidinyl]oxy]-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methylcyclopropyl]carbamoyl]-2-oxo-13-(2-pyridin-2-ylthieno[3,2-d]pyrimidin-4-yl)oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate Traditional Name: N-[(9Z,13R,15S)-15-[[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-methyl-cyclopropyl]carbamoyl]-2-keto-13-[2-(2-pyridyl)thieno[3,2-d]pyrimidin-4-yl]oxy-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid tert-butyl ester Formula: C39H49N7O8S2 MolecularWeight: 807.97846

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(C4N3C(=O)C(CCCCCC=CC4)NC(=O)OC(C)(C)C)OC5=NC(=NC6=C5SC=C6)C7=CC=CC=N7

Isomeric SMILES

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)OC(C)(C)C)OC5=NC(=NC6=C5SC=C6)C7=CC=CC=N7

InChI

InChI=1S/C39H49N7O8S2/c1-23-22-39(23,36(49)45-56(51,52)24-16-17-24)44-33(47)29-21-30(53-34-31-25(18-20-55-31)41-32(43-34)26-13-11-12-19-40-26)28-15-10-8-6-5-7-9-14-27(35(48)46(28)29)42-37(50)54-38(2,3)4/h8,10-13,18-20,23-24,27-30H,5-7,9,14-17,21-22H2,1-4H3,(H,42,50)(H,44,47)(H,45,49)/b10-8-/t23-,27?,28?,29+,30-,39?/m1/s1