cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(dimethylphosphorylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(dimethylphosphorylcarbamoyl)-2-ethenyl-cyclopropyl]carbamoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-1-yl]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: cyclopentyl N-[(1S)-1-[(2S,4R)-2-[[(1R,2S)-1-(dimethylphosphorylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamate CAS Name: N-[(2S)-1-[(2S,4R)-2-[[[(1R,2S)-1-[(dimethylphosphorylamino)-oxomethyl]-2-ethenylcyclopropyl]amino]-oxomethyl]-4-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-1-pyrrolidinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamic acid cyclopentyl ester IUPAC Name: cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-1-(dimethylphosphorylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-[7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(2S,4R)-2-[[(1R,2S)-1-(dimethylphosphorylcarbamoyl)-2-vinyl-cyclopropyl]carbamoyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-1-carbonyl]-2,2-dimethyl-propyl]carbamic acid cyclopentyl ester Formula: C41H56N7O8PS MolecularWeight: 837.964201

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)NP(=O)(C)C

Isomeric SMILES

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)NP(=O)(C)C

InChI

InChI=1S/C41H56N7O8PS/c1-10-24-20-41(24,37(51)47-57(8,9)53)46-35(49)32-18-27(21-48(32)36(50)34(40(4,5)6)45-39(52)56-25-13-11-12-14-25)55-33-19-30(31-22-58-38(44-31)42-23(2)3)43-29-17-26(54-7)15-16-28(29)33/h10,15-17,19,22-25,27,32,34H,1,11-14,18,20-21H2,2-9H3,(H,42,44)(H,45,52)(H,46,49)(H,47,51,53)/t24-,27-,32+,34-,41-/m1/s1