tert-butyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-13-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2-oxidanylidene-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-13-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2-oxidanylidene-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamate Openeye Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-13-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-2-oxo-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]-13-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-2-oxo-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(9Z,13R,15S)-15-[[(2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-13-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-2-oxo-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]-13-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-2-keto-1-azabicyclo[10.3.0]pentadec-9-en-3-yl]carbamic acid tert-butyl ester Formula: C45H59N7O9S2 MolecularWeight: 906.12146

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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=CCCCCCC(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\CCCCCC(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/C45H59N7O9S2/c1-8-27-24-45(27,41(55)51-63(57,58)29-18-19-29)50-39(53)36-23-38(35-16-14-12-10-9-11-13-15-31(40(54)52(35)36)49-43(56)61-44(4,5)6)60-37-22-33(34-25-62-42(48-34)46-26(2)3)47-32-21-28(59-7)17-20-30(32)37/h8,12,14,17,20-22,25-27,29,31,35-36,38H,1,9-11,13,15-16,18-19,23-24H2,2-7H3,(H,46,48)(H,49,56)(H,50,53)(H,51,55)/b14-12-/t27-,31?,35?,36+,38-,45?/m1/s1