(1R)-1-[[(2S,4R)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]-4-[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)-1-[[(2S,4R)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)ethanoyl]-4-[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)-1-[[(2S,4R)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropanecarboxylic acid CAS Name: (1R)-1-[[[(2S,4R)-1-[(2S)-2-[[[[1-(tert-butylsulfonylmethyl)cyclohexyl]amino]-oxomethyl]amino]-2-(1-methylcyclohexyl)-1-oxoethyl]-4-[[7-methoxy-2-[2-(propan-2-ylamino)-4-thiazolyl]-4-quinolinyl]oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenyl-1-cyclopropanecarboxylic acid IUPAC Name: (1R)-1-[[(2S,4R)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-4-[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)-1-[[(2S,4R)-1-[(2S)-2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-4-[[2-[2-(isopropylamino)thiazol-4-yl]-7-methoxy-4-quinolyl]oxy]prolyl]amino]-2-vinyl-cyclopropanecarboxylic acid Formula: C48H67N7O9S2 MolecularWeight: 950.21708

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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(C5(CCCCC5)C)NC(=O)NC6(CCCCC6)CS(=O)(=O)C(C)(C)C)C(=O)NC7(CC7C=C)C(=O)O

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](C5(CCCCC5)C)NC(=O)NC6(CCCCC6)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@]7(CC7C=C)C(=O)O

InChI

InChI=1S/C48H67N7O9S2/c1-9-30-25-48(30,42(58)59)53-40(56)37-23-32(64-38-24-35(36-27-65-44(51-36)49-29(2)3)50-34-22-31(63-8)16-17-33(34)38)26-55(37)41(57)39(46(7)18-12-10-13-19-46)52-43(60)54-47(20-14-11-15-21-47)28-66(61,62)45(4,5)6/h9,16-17,22,24,27,29-30,32,37,39H,1,10-15,18-21,23,25-26,28H2,2-8H3,(H,49,51)(H,53,56)(H,58,59)(H2,52,54,60)/t30?,32-,37+,39-,48-/m1/s1