(1R,2S)-1-[[(2S,4R)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethyl-butanoyl]-4-[8-chloranyl-7-(2-piperidin-1-ylethoxy)-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-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethyl-butanoyl]-4-[8-chloranyl-7-(2-piperidin-1-ylethoxy)-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)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethyl-butanoyl]-4-[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-[2-(1-piperidyl)ethoxy]-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R,2S)-1-[[[(2S,4R)-1-[(2S)-2-[[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy-oxomethyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[[8-chloro-7-[2-(1-piperidinyl)ethoxy]-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-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-piperidin-1-ylethoxy)-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)-1-[(2S)-2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxycarbonylamino]-3,3-dimethyl-butanoyl]-4-[[8-chloro-2-[2-(isopropylamino)thiazol-4-yl]-7-(2-piperidinoethoxy)-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C46H60ClN7O8S MolecularWeight: 906.5287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OCCN4CCCCC4)C(=C2)OC5CC(N(C5)C(=O)C(C(C)(C)C)NC(=O)OC6CC7CC7C6)C(=O)NC8(CC8C=C)C(=O)O

Isomeric SMILES

CC(C)NC1=NC(=CS1)C2=NC3=C(C=CC(=C3Cl)OCCN4CCCCC4)C(=C2)O[C@@H]5C[C@H](N(C5)C(=O)[C@H](C(C)(C)C)NC(=O)OC6C[C@H]7C[C@H]7C6)C(=O)N[C@@]8(C[C@H]8C=C)C(=O)O

InChI

InChI=1S/C46H60ClN7O8S/c1-7-28-22-46(28,42(57)58)52-40(55)34-20-30(23-54(34)41(56)39(45(4,5)6)51-44(59)62-29-18-26-17-27(26)19-29)61-36-21-32(33-24-63-43(50-33)48-25(2)3)49-38-31(36)11-12-35(37(38)47)60-16-15-53-13-9-8-10-14-53/h7,11-12,21,24-30,34,39H,1,8-10,13-20,22-23H2,2-6H3,(H,48,50)(H,51,59)(H,52,55)(H,57,58)/t26-,27+,28-,29?,30-,34+,39-,46-/m1/s1