(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid

C176H216Cl4N12O34S4 — CID 160515985

IUPAC(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
SMILESC=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2C=CC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2CCC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O.CCC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O
InChIInChI=1S/C44H56ClN3O9S.C44H54ClN3O9S.C44H54ClN3O8S.C44H52ClN3O8S/c2*1-8-24-19-44(24,42(52)53)20-34(49)33-16-28(21-48(33)41(51)30(43(4,5)6)17-38(50)57-27-14-25-9-10-26(15-27)55-25)56-36-18-31(32-22-58-37(46-32)13-23(2)3)47-40-29(36)11-12-35(54-7)39(40)45;2*1-8-26-19-44(26,42(52)53)20-33(49)32-16-27(21-48(32)41(51)29(43(4,5)6)17-37(50)56-40-24-9-10-25(40)12-11-24)55-35-18-30(31-22-57-36(46-31)15-23(2)3)47-39-28(35)13-14-34(54-7)38(39)45/h11-12,18,22-28,30,33H,8-10,13-17,19-21H2,1-7H3,(H,52,53);8,11-12,18,22-28,30,33H,1,9-10,13-17,19-21H2,2-7H3,(H,52,53);8,13-14,18,22-27,29,32,40H,1,9-12,15-17,19-21H2,2-7H3,(H,52,53);8-10,13-14,18,22-27,29,32,40H,1,11-12,15-17,19-21H2,2-7H3,(H,52,53)/t2*24?,25-,26+,27?,28-,30-,33+,44-;2*24?,25?,26?,27-,29-,32+,40?,44-/m1111/s1
InChIKeyQTQVSWHIFYMZFK-LOKOYEJBSA-N
MW3313.79 g/mol
LogP33.39
Rot. Bonds60

About (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid

(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid (PubChem CID 160515985) has the molecular formula C176H216Cl4N12O34S4 and a molecular weight of 3313.79 g/mol. Its IUPAC name is (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
PubChem CID160515985
Molecular FormulaC176H216Cl4N12O34S4
Molecular Weight3313.79 g/mol
Exact Mass3309.32
IUPAC Name(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
SMILESC=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2C=CC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2CCC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O.CCC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O
InChIInChI=1S/C44H56ClN3O9S.C44H54ClN3O9S.C44H54ClN3O8S.C44H52ClN3O8S/c2*1-8-24-19-44(24,42(52)53)20-34(49)33-16-28(21-48(33)41(51)30(43(4,5)6)17-38(50)57-27-14-25-9-10-26(15-27)55-25)56-36-18-31(32-22-58-37(46-32)13-23(2)3)47-40-29(36)11-12-35(54-7)39(40)45;2*1-8-26-19-44(26,42(52)53)20-33(49)32-16-27(21-48(32)41(51)29(43(4,5)6)17-37(50)56-40-24-9-10-25(40)12-11-24)55-35-18-30(31-22-57-36(46-31)15-23(2)3)47-39-28(35)13-14-34(54-7)38(39)45/h11-12,18,22-28,30,33H,8-10,13-17,19-21H2,1-7H3,(H,52,53);8,11-12,18,22-28,30,33H,1,9-10,13-17,19-21H2,2-7H3,(H,52,53);8,13-14,18,22-27,29,32,40H,1,9-12,15-17,19-21H2,2-7H3,(H,52,53);8-10,13-14,18,22-27,29,32,40H,1,11-12,15-17,19-21H2,2-7H3,(H,52,53)/t2*24?,25-,26+,27?,28-,30-,33+,44-;2*24?,25?,26?,27-,29-,32+,40?,44-/m1111/s1
InChIKeyQTQVSWHIFYMZFK-LOKOYEJBSA-N
XLogP33.39
TPSA599.34 Ų
H-Bond Donors4
H-Bond Acceptors42
Rotatable Bonds60
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003313.79
LogP ≤ 533.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1042

Analyze (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[2-[(2S)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
CID 159557860
(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-7-(2-oxopropoxy)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 161449525
(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(2-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[2-[5-chloro-2-(2-methylpropyl)-1,3-thiazol-4-yl]-7-methoxyquinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
CID 159952731
trans-methyl (1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-(2-methoxy-1,3-thiazol-4-yl)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylate
CID 161011736
trans-(1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-methoxyethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 159849818
trans-(1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[6-(propan-2-ylamino)-2-pyridinyl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 157328872
cis-(1S,2S)-1-[2-[(2S,4S)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-hydroxyethoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;trans-(1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[6-(propan-2-ylamino)-2-pyridinyl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;trans-(1R,2S)-1-[2-[(2S,4S)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]-7-propoxyquinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 158699751
trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-[2-(4-ethylpiperazin-1-yl)ethoxy]-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid;trans-(1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(isocyanomethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;trans-(1R,2S)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(formyloxymethoxy)-2-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 159157511
trans-(1R,2S)-1-[2-[(4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[5-methyl-2-(propan-2-ylamino)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid
CID 58545518
(1R)-1-[2-[(2S)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[7-(2-hydroxyethoxy)-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
CID 158137627
trans-(1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1S,5R)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-(2-methoxyethoxy)-2-(4-methyl-1,3-thiazol-2-yl)quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid
CID 158136128
trans-methyl (1R,2R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-[[(1R,5S)-3-bicyclo[3.1.0]hexanyl]oxy]-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(propan-2-ylamino)-1,3-oxazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylate
CID 58545513

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?
The IUPAC name of (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid (CID 160515985) is (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?
The canonical SMILES for (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid is C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2C=CC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C2CCC1CC2)C(C)(C)C)C(=O)O.C=CC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O.CCC1C[C@]1(CC(=O)[C@@H]1C[C@@H](Oc2cc(-c3csc(CC(C)C)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](CC(=O)OC1C[C@H]2CC[C@@H](C1)O2)C(C)(C)C)C(=O)O.
What is the InChIKey of (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?
The InChIKey is QTQVSWHIFYMZFK-LOKOYEJBSA-N. The full InChI is InChI=1S/C44H56ClN3O9S.C44H54ClN3O9S.C44H54ClN3O8S.C44H52ClN3O8S/c2*1-8-24-19-44(24,42(52)53)20-34(49)33-16-28(21-48(33)41(51)30(43(4,5)6)17-38(50)57-27-14-25-9-10-26(15-27)55-25)56-36-18-31(32-22-58-37(46-32)13-23(2)3)47-40-29(36)11-12-35(54-7)39(40)45;2*1-8-26-19-44(26,42(52)53)20-33(49)32-16-27(21-48(32)41(51)29(43(4,5)6)17-37(50)56-40-24-9-10-25(40)12-11-24)55-35-18-30(31-22-57-36(46-31)15-23(2)3)47-39-28(35)13-14-34(54-7)38(39)45/h11-12,18,22-28,30,33H,8-10,13-17,19-21H2,1-7H3,(H,52,53);8,11-12,18,22-28,30,33H,1,9-10,13-17,19-21H2,2-7H3,(H,52,53);8,13-14,18,22-27,29,32,40H,1,9-12,15-17,19-21H2,2-7H3,(H,52,53);8-10,13-14,18,22-27,29,32,40H,1,11-12,15-17,19-21H2,2-7H3,(H,52,53)/t2*24?,25-,26+,27?,28-,30-,33+,44-;2*24?,25?,26?,27-,29-,32+,40?,44-/m1111/s1.
What are the key properties of (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid?
(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid has a molecular weight of 3313.79 g/mol, XLogP of 33.39, 60 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]heptanyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-1-[(2S)-2-[2-(7-bicyclo[2.2.1]hept-2-enyloxy)-2-oxoethyl]-3,3-dimethylbutanoyl]-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxypyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethenylcyclopropane-1-carboxylic acid;(1R)-1-[2-[(2S,4R)-4-[8-chloro-7-methoxy-2-[2-(2-methylpropyl)-1,3-thiazol-4-yl]quinolin-4-yl]oxy-1-[(2S)-3,3-dimethyl-2-[2-[[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]oxy]-2-oxoethyl]butanoyl]pyrrolidin-2-yl]-2-oxoethyl]-2-ethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 160515985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).