(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(3-bicyclo[2.2.1]heptanyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[8-chloranyl-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(3-bicyclo[2.2.1]heptanyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[8-chloranyl-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-1-[[(2S,4R)-4-[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-1-[(2S)-3,3-dimethyl-2-(norbornan-2-yloxycarbonylamino)butanoyl]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S,4R)-1-[(2S)-2-[[3-bicyclo[2.2.1]heptanyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-1-[[(2S,4R)-1-[(2S)-2-(3-bicyclo[2.2.1]heptanyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-1-[[(2S,4R)-4-[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]-1-[(2S)-3,3-dimethyl-2-(2-norbornyloxycarbonylamino)butanoyl]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C41H51ClN6O8S MolecularWeight: 823.39704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O)OC5CC6CCC5C6)C(=O)NC7(CC7C=C)C(=O)O

Isomeric SMILES

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OC)C(=C2)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)OC5CC6CCC5C6)C(=O)N[C@@]7(C[C@H]7C=C)C(=O)O

InChI

InChI=1S/C41H51ClN6O8S/c1-8-23-17-41(23,37(51)52)47-35(49)28-15-24(18-48(28)36(50)34(40(4,5)6)46-39(53)56-30-14-21-9-10-22(30)13-21)55-31-16-26(27-19-57-38(45-27)43-20(2)3)44-33-25(31)11-12-29(54-7)32(33)42/h8,11-12,16,19-24,28,30,34H,1,9-10,13-15,17-18H2,2-7H3,(H,43,45)(H,46,53)(H,47,49)(H,51,52)/t21?,22?,23-,24-,28+,30?,34-,41-/m1/s1