(1R,2S)-1-[[(2S,4R)-4-[8-bromanyl-7-methoxy-2-[2-(propanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[(1-methylcyclopentyl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-1-[[(2S,4R)-4-[8-bromanyl-7-methoxy-2-[2-(propanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[(1-methylcyclopentyl)oxycarbonylamino]butanoyl]pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S,4R)-4-[[8-bromo-7-methoxy-2-[2-(propanoylamino)thiazol-4-yl]-4-quinolyl]oxy]-1-[(2S)-3,3-dimethyl-2-[(1-methylcyclopentoxy)carbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S,4R)-4-[[8-bromo-7-methoxy-2-[2-(1-oxopropylamino)-4-thiazolyl]-4-quinolinyl]oxy]-1-[(2S)-3,3-dimethyl-2-[[(1-methylcyclopentyl)oxy-oxomethyl]amino]-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-1-[[(2S,4R)-4-[8-bromo-7-methoxy-2-[2-(propanoylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[(1-methylcyclopentyl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S,4R)-4-[[8-bromo-7-methoxy-2-(2-propionamidothiazol-4-yl)-4-quinolyl]oxy]-1-[(2S)-3,3-dimethyl-2-[(1-methylcyclopentoxy)carbonylamino]butanoyl]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C40H49BrN6O9S MolecularWeight: 869.82086

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5(CCCC5)C)C(=O)NC6(CC6C=C)C(=O)O

Isomeric SMILES

CCC(=O)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Br)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5(CCCC5)C)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O

InChI

InChI=1S/C40H49BrN6O9S/c1-8-21-18-40(21,35(51)52)46-33(49)26-16-22(19-47(26)34(50)32(38(3,4)5)45-37(53)56-39(6)14-10-11-15-39)55-28-17-24(25-20-57-36(43-25)44-29(48)9-2)42-31-23(28)12-13-27(54-7)30(31)41/h8,12-13,17,20-22,26,32H,1,9-11,14-16,18-19H2,2-7H3,(H,45,53)(H,46,49)(H,51,52)(H,43,44,48)/t21-,22-,26+,32-,40-/m1/s1