tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate

C155H213ClF3N21O41S4 — CID 158039855

IUPACtert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)OC1(CCC)CC1.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)C(=O)NS(=O)(=O)OC1(C(C)C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1
InChIInChI=1S/C40H56ClN5O11S.C39H53N5O11S.C38H50F3N5O10S.C38H54N6O9S/c1-11-16-39(17-18-39)57-58(51,52)45-35(49)40(21-23(40)12-2)44-33(47)26-19-24(22-46(26)34(48)32(37(4,5)6)43-36(50)56-38(7,8)9)55-28-20-29(54-13-3)42-31-25(28)14-15-27(53-10)30(31)41;1-8-26-21-39(26,35(47)43-56(49,50)55-38(14-15-38)23(2)3)42-32(45)30-20-28(53-33-29-10-9-27(51-7)19-25(29)11-16-40-33)22-44(30)34(46)31(24-12-17-52-18-13-24)41-36(48)54-37(4,5)6;1-6-24-20-37(24,33(49)45-57(51,52)56-36(4)15-16-36)44-30(47)28-19-26(54-31-27-13-12-25(53-5)18-23(27)14-17-42-31)21-46(28)32(48)29(22-10-8-7-9-11-22)43-34(50)55-35(2,3)38(39,40)41;1-7-25-21-38(25,34(47)43-54(49,50)53-37(5)16-17-37)41-31(45)29-20-27(52-32-28-14-13-26(51-6)19-24(28)15-18-39-32)22-44(29)33(46)30(23-11-9-8-10-12-23)40-35(48)42-36(2,3)4/h12,14-15,20,23-24,26,32H,2,11,13,16-19,21-22H2,1,3-10H3,(H,43,50)(H,44,47)(H,45,49);8-11,16,19,23-24,26,28,30-31H,1,12-15,17-18,20-22H2,2-7H3,(H,41,48)(H,42,45)(H,43,47);12-14,17-18,22,24,26,28-29H,6-11,15-16,19-21H2,1-5H3,(H,43,50)(H,44,47)(H,45,49);13-15,18-19,23,25,27,29-30H,7-12,16-17,20-22H2,1-6H3,(H,41,45)(H,43,47)(H2,40,42,48)/t23-,24-,26+,32-,40-;26-,28-,30+,31+,39-;24-,26-,28+,29+,37-;25-,27-,29+,30+,38-/m1111/s1
InChIKeyFIFIAUYSWIJQHY-PKLORBGXSA-N
MW3247.23 g/mol
LogP17.57
Rot. Bonds57

About tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate

tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 158039855) has the molecular formula C155H213ClF3N21O41S4 and a molecular weight of 3247.23 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
PubChem CID158039855
Molecular FormulaC155H213ClF3N21O41S4
Molecular Weight3247.23 g/mol
Exact Mass3244.38
IUPAC Nametert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
SMILESC=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)OC1(CCC)CC1.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)C(=O)NS(=O)(=O)OC1(C(C)C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1
InChIInChI=1S/C40H56ClN5O11S.C39H53N5O11S.C38H50F3N5O10S.C38H54N6O9S/c1-11-16-39(17-18-39)57-58(51,52)45-35(49)40(21-23(40)12-2)44-33(47)26-19-24(22-46(26)34(48)32(37(4,5)6)43-36(50)56-38(7,8)9)55-28-20-29(54-13-3)42-31-25(28)14-15-27(53-10)30(31)41;1-8-26-21-39(26,35(47)43-56(49,50)55-38(14-15-38)23(2)3)42-32(45)30-20-28(53-33-29-10-9-27(51-7)19-25(29)11-16-40-33)22-44(30)34(46)31(24-12-17-52-18-13-24)41-36(48)54-37(4,5)6;1-6-24-20-37(24,33(49)45-57(51,52)56-36(4)15-16-36)44-30(47)28-19-26(54-31-27-13-12-25(53-5)18-23(27)14-17-42-31)21-46(28)32(48)29(22-10-8-7-9-11-22)43-34(50)55-35(2,3)38(39,40)41;1-7-25-21-38(25,34(47)43-54(49,50)53-37(5)16-17-37)41-31(45)29-20-27(52-32-28-14-13-26(51-6)19-24(28)15-18-39-32)22-44(29)33(46)30(23-11-9-8-10-12-23)40-35(48)42-36(2,3)4/h12,14-15,20,23-24,26,32H,2,11,13,16-19,21-22H2,1,3-10H3,(H,43,50)(H,44,47)(H,45,49);8-11,16,19,23-24,26,28,30-31H,1,12-15,17-18,20-22H2,2-7H3,(H,41,48)(H,42,45)(H,43,47);12-14,17-18,22,24,26,28-29H,6-11,15-16,19-21H2,1-5H3,(H,43,50)(H,44,47)(H,45,49);13-15,18-19,23,25,27,29-30H,7-12,16-17,20-22H2,1-6H3,(H,41,45)(H,43,47)(H2,40,42,48)/t23-,24-,26+,32-,40-;26-,28-,30+,31+,39-;24-,26-,28+,29+,37-;25-,27-,29+,30+,38-/m1111/s1
InChIKeyFIFIAUYSWIJQHY-PKLORBGXSA-N
XLogP17.57
TPSA787.50 Ų
H-Bond Donors13
H-Bond Acceptors45
Rotatable Bonds57
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003247.23
LogP ≤ 517.57
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1045

Analyze tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,4R,6S,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-[3-[4-(dimethylamino)phenyl]-6-methoxyisoquinolin-1-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,6S,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-(6-methoxyisoquinolin-1-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,6S,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-(6-methoxy-3-phenylisoquinolin-1-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,6S,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]isoquinolin-1-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 157052615
tert-butyl N-[(1S,4R,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-[3-[4-(dimethylamino)phenyl]-6-methoxyisoquinolin-1-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-(6-methoxyisoquinolin-1-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-(6-methoxy-3-phenylisoquinolin-1-yl)oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate;tert-butyl N-[(1S,4R,7Z,14S)-4-(cyclopropylsulfonylcarbamoyl)-18-[6-methoxy-3-[4-(trifluoromethoxy)phenyl]isoquinolin-1-yl]oxy-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]carbamate
CID 157052616
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1-methoxy-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-(morpholine-4-carbonylamino)butanoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-(pyrrolidine-1-carbonylamino)butanoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate
CID 157245428
tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1R)-1-(1,1-dioxothian-4-yl)-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;methyl 1-[[(1R,2R)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamoyloxy]cyclopropane-1-carboxylate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 157499897
tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-bromo-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(1,1,1-trifluoro-2-methylpropan-2-yl)carbamoylamino]butanoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate
CID 157814362
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)butan-2-yl]carbamate;(2-methyl-1-morpholin-4-ylpropan-2-yl) N-[1-[2-[[2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-2-[(2S)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 157846616
tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2S)-2-(cyanomethyl)-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-[[(1R,2R)-1-(cyclopropyloxysulfonylcarbamoyl)-2-ethylcyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)butan-2-yl]carbamate;(2-methyl-1-morpholin-4-ylpropan-2-yl) N-[(2S)-1-[(2S)-2-[[(1R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-2-[(2S)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate
CID 157846617
CID 157868652
CID 157868652
cyclobutyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1-methylcyclopentyl) N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;[1-(trifluoromethyl)cyclobutyl] N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;[1-(trifluoromethyl)cyclopentyl] N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 158001451
tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxyquinolin-4-yl)oxy-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-1-(1,1-dioxothian-4-yl)-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl N-[(2S)-1-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(7-methoxyquinazolin-4-yl)oxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 158091366
tert-butyl N-[(1S)-1-cyclopentyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate;tert-butyl 2-[(1S,4R,6S,7Z,14R,18R)-18-(6-methoxyisoquinolin-1-yl)oxy-4-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-14-yl]acetate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 158103280
CID 158310547
CID 158310547

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 158039855) is tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate is C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(OCC)nc3c(Cl)c(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NS(=O)(=O)OC1(CCC)CC1.C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CCOCC1)C(=O)NS(=O)(=O)OC1(C(C)C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2nccc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C(F)(F)F)C1CCCCC1)C(=O)NS(=O)(=O)OC1(C)CC1.
What is the InChIKey of tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is FIFIAUYSWIJQHY-PKLORBGXSA-N. The full InChI is InChI=1S/C40H56ClN5O11S.C39H53N5O11S.C38H50F3N5O10S.C38H54N6O9S/c1-11-16-39(17-18-39)57-58(51,52)45-35(49)40(21-23(40)12-2)44-33(47)26-19-24(22-46(26)34(48)32(37(4,5)6)43-36(50)56-38(7,8)9)55-28-20-29(54-13-3)42-31-25(28)14-15-27(53-10)30(31)41;1-8-26-21-39(26,35(47)43-56(49,50)55-38(14-15-38)23(2)3)42-32(45)30-20-28(53-33-29-10-9-27(51-7)19-25(29)11-16-40-33)22-44(30)34(46)31(24-12-17-52-18-13-24)41-36(48)54-37(4,5)6;1-6-24-20-37(24,33(49)45-57(51,52)56-36(4)15-16-36)44-30(47)28-19-26(54-31-27-13-12-25(53-5)18-23(27)14-17-42-31)21-46(28)32(48)29(22-10-8-7-9-11-22)43-34(50)55-35(2,3)38(39,40)41;1-7-25-21-38(25,34(47)43-54(49,50)53-37(5)16-17-37)41-31(45)29-20-27(52-32-28-14-13-26(51-6)19-24(28)15-18-39-32)22-44(29)33(46)30(23-11-9-8-10-12-23)40-35(48)42-36(2,3)4/h12,14-15,20,23-24,26,32H,2,11,13,16-19,21-22H2,1,3-10H3,(H,43,50)(H,44,47)(H,45,49);8-11,16,19,23-24,26,28,30-31H,1,12-15,17-18,20-22H2,2-7H3,(H,41,48)(H,42,45)(H,43,47);12-14,17-18,22,24,26,28-29H,6-11,15-16,19-21H2,1-5H3,(H,43,50)(H,44,47)(H,45,49);13-15,18-19,23,25,27,29-30H,7-12,16-17,20-22H2,1-6H3,(H,41,45)(H,43,47)(H2,40,42,48)/t23-,24-,26+,32-,40-;26-,28-,30+,31+,39-;24-,26-,28+,29+,37-;25-,27-,29+,30+,38-/m1111/s1.
What are the key properties of tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate?
tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 3247.23 g/mol, XLogP of 17.57, 57 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-[(2S,4R)-4-(8-chloro-2-ethoxy-7-methoxyquinolin-4-yl)oxy-2-[[(1R,2S)-2-ethenyl-1-[(1-propylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate;tert-butyl N-[(1S)-2-[(2S,4R)-2-[[(1R,2S)-2-ethenyl-1-[(1-propan-2-ylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]carbamate;(1-methylcyclopropyl) N-[(1R,2R)-1-[[(2S,4R)-1-[(2S)-2-(tert-butylcarbamoylamino)-2-cyclohexylacetyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethylcyclopropanecarbonyl]sulfamate;(1,1,1-trifluoro-2-methylpropan-2-yl) N-[(1S)-1-cyclohexyl-2-[(2S,4R)-2-[[(1R,2R)-2-ethyl-1-[(1-methylcyclopropyl)oxysulfonylcarbamoyl]cyclopropyl]carbamoyl]-4-(6-methoxyisoquinolin-1-yl)oxypyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 158039855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).