cyclopentyl N-[(2S)-1-[(2S,4R)-2-[[(1S,2S)-1-bis(3-chloranylphenoxy)phosphoryl-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-[[(1S,2S)-1-bis(3-chloranylphenoxy)phosphoryl-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-[[(1S,2S)-1-bis(3-chlorophenoxy)phosphoryl-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-[[[(1S,2S)-1-bis(3-chlorophenoxy)phosphoryl-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-[[(1S,2S)-1-bis(3-chlorophenoxy)phosphoryl-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-[[(1S,2S)-1-bis(3-chlorophenoxy)phosphoryl-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: C50H57Cl2N6O9PS MolecularWeight: 1019.967141

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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(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CCCC5)C(=O)NC6(CC6C=C)P(=O)(OC7=CC(=CC=C7)Cl)OC8=CC(=CC=C8)Cl

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)P(=O)(OC7=CC(=CC=C7)Cl)OC8=CC(=CC=C8)Cl

InChI

InChI=1S/C50H57Cl2N6O9PS/c1-8-30-26-50(30,68(62,66-35-17-11-13-31(51)21-35)67-36-18-12-14-32(52)22-36)57-45(59)42-24-37(27-58(42)46(60)44(49(4,5)6)56-48(61)65-33-15-9-10-16-33)64-43-25-40(41-28-69-47(55-41)53-29(2)3)54-39-23-34(63-7)19-20-38(39)43/h8,11-14,17-23,25,28-30,33,37,42,44H,1,9-10,15-16,24,26-27H2,2-7H3,(H,53,55)(H,56,61)(H,57,59)/t30-,37-,42+,44-,50+/m1/s1