(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide

C221H298F5N29O27S3 — CID 162292257

IUPAC(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
SMILESCCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O.CC[C@H](CC(=O)[C@H](C)NC)C(=O)C1C[C@@H](O)CC1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12
InChIInChI=1S/C45H59F2N5O6.C33H44N4O4.C32H46F2N4O5.C30H37N5O4S.C28H43N3O2.C27H34FN3O3S.C26H35N5O3S/c1-7-23(4)44(57)51-37(9-3)45(58)52-22-31(54)19-29(52)20-36-33-13-11-28(47)18-39(33)50-42(36)41-35(32-12-10-27(46)17-38(32)49-41)15-26-14-30(53)21-34(26)43(56)25(8-2)16-40(55)24(5)48-6;1-5-23(4)31(39)34-27-21-36(29(38)20-22(2)3)19-18-26-16-17-28(37(26)33(27)41)32(40)35-30(24-12-8-6-9-13-24)25-14-10-7-11-15-25;1-4-20(3)29(39)36-28(21-10-13-32(33,34)14-11-21)31(41)38-17-22-16-23(42-5-2)18-37(22)19-26(38)30(40)35-25-12-15-43-27-9-7-6-8-24(25)27;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-3-21(2)27(32)29-26(24-12-8-5-9-13-24)28(33)31-19-16-23-15-18-30(20-25(23)31)17-14-22-10-6-4-7-11-22;1-3-17(2)25(33)30-23(18-8-5-4-6-9-18)27(34)31-15-7-10-22(31)26-29-21(16-35-26)24(32)19-11-13-20(28)14-12-19;1-3-17(2)23(32)27-22(19-13-8-5-9-14-19)26(34)31-16-10-15-20(31)24(33)28-25-21(29-30-35-25)18-11-6-4-7-12-18/h10-13,17-18,23-26,29-31,34,37,48-50,53-54H,7-9,14-16,19-22H2,1-6H3,(H,51,57);6-15,22-23,26-28,30H,5,16-21H2,1-4H3,(H,34,39)(H,35,40);6-9,20-23,25-26,28H,4-5,10-19H2,1-3H3,(H,35,40)(H,36,39);4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);4,6-7,10-11,21,23-26H,3,5,8-9,12-20H2,1-2H3,(H,29,32);11-14,16-18,22-23H,3-10,15H2,1-2H3,(H,30,33);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,27,32)(H,28,33)/t23-,24+,25-,26?,29+,30+,31+,34?,37+;23-,26-,27+,28+;20-,22-,23-,25-,26+,28+;19-,22+,24+;21-,23-,25-,26+;17-,22+,23+;17-,20+,22+/m1111111/s1
InChIKeyLEPQNZAJEPJJOP-KWFFQANRSA-N
MW3984.18 g/mol
LogP33.17
Rot. Bonds68

About (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide

(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide (PubChem CID 162292257) has the molecular formula C221H298F5N29O27S3 and a molecular weight of 3984.18 g/mol. Its IUPAC name is (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
PubChem CID162292257
Molecular FormulaC221H298F5N29O27S3
Molecular Weight3984.18 g/mol
Exact Mass3981.19
IUPAC Name(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
SMILESCCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O.CC[C@H](CC(=O)[C@H](C)NC)C(=O)C1C[C@@H](O)CC1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12
InChIInChI=1S/C45H59F2N5O6.C33H44N4O4.C32H46F2N4O5.C30H37N5O4S.C28H43N3O2.C27H34FN3O3S.C26H35N5O3S/c1-7-23(4)44(57)51-37(9-3)45(58)52-22-31(54)19-29(52)20-36-33-13-11-28(47)18-39(33)50-42(36)41-35(32-12-10-27(46)17-38(32)49-41)15-26-14-30(53)21-34(26)43(56)25(8-2)16-40(55)24(5)48-6;1-5-23(4)31(39)34-27-21-36(29(38)20-22(2)3)19-18-26-16-17-28(37(26)33(27)41)32(40)35-30(24-12-8-6-9-13-24)25-14-10-7-11-15-25;1-4-20(3)29(39)36-28(21-10-13-32(33,34)14-11-21)31(41)38-17-22-16-23(42-5-2)18-37(22)19-26(38)30(40)35-25-12-15-43-27-9-7-6-8-24(25)27;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-3-21(2)27(32)29-26(24-12-8-5-9-13-24)28(33)31-19-16-23-15-18-30(20-25(23)31)17-14-22-10-6-4-7-11-22;1-3-17(2)25(33)30-23(18-8-5-4-6-9-18)27(34)31-15-7-10-22(31)26-29-21(16-35-26)24(32)19-11-13-20(28)14-12-19;1-3-17(2)23(32)27-22(19-13-8-5-9-14-19)26(34)31-16-10-15-20(31)24(33)28-25-21(29-30-35-25)18-11-6-4-7-12-18/h10-13,17-18,23-26,29-31,34,37,48-50,53-54H,7-9,14-16,19-22H2,1-6H3,(H,51,57);6-15,22-23,26-28,30H,5,16-21H2,1-4H3,(H,34,39)(H,35,40);6-9,20-23,25-26,28H,4-5,10-19H2,1-3H3,(H,35,40)(H,36,39);4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);4,6-7,10-11,21,23-26H,3,5,8-9,12-20H2,1-2H3,(H,29,32);11-14,16-18,22-23H,3-10,15H2,1-2H3,(H,30,33);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,27,32)(H,28,33)/t23-,24+,25-,26?,29+,30+,31+,34?,37+;23-,26-,27+,28+;20-,22-,23-,25-,26+,28+;19-,22+,24+;21-,23-,25-,26+;17-,22+,23+;17-,20+,22+/m1111111/s1
InChIKeyLEPQNZAJEPJJOP-KWFFQANRSA-N
XLogP33.17
TPSA720.39 Ų
H-Bond Donors16
H-Bond Acceptors38
Rotatable Bonds68
Heavy Atoms285
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003984.18
LogP ≤ 533.17
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1038

Analyze (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide (CID 162292257) is (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide is CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)CC)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(-c2ncco2)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(C(=O)c2ccc(F)cc2)cs1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H]1CN(C(=O)CC(C)C)CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O.CC[C@H](CC(=O)[C@H](C)NC)C(=O)C1C[C@@H](O)CC1Cc1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](O)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12.
What is the InChIKey of (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The InChIKey is LEPQNZAJEPJJOP-KWFFQANRSA-N. The full InChI is InChI=1S/C45H59F2N5O6.C33H44N4O4.C32H46F2N4O5.C30H37N5O4S.C28H43N3O2.C27H34FN3O3S.C26H35N5O3S/c1-7-23(4)44(57)51-37(9-3)45(58)52-22-31(54)19-29(52)20-36-33-13-11-28(47)18-39(33)50-42(36)41-35(32-12-10-27(46)17-38(32)49-41)15-26-14-30(53)21-34(26)43(56)25(8-2)16-40(55)24(5)48-6;1-5-23(4)31(39)34-27-21-36(29(38)20-22(2)3)19-18-26-16-17-28(37(26)33(27)41)32(40)35-30(24-12-8-6-9-13-24)25-14-10-7-11-15-25;1-4-20(3)29(39)36-28(21-10-13-32(33,34)14-11-21)31(41)38-17-22-16-23(42-5-2)18-37(22)19-26(38)30(40)35-25-12-15-43-27-9-7-6-8-24(25)27;1-3-19(2)25(36)32-24(21-13-8-5-9-14-21)30(38)35-17-10-15-22(35)26(37)34-28-23(20-11-6-4-7-12-20)33-29(40-28)27-31-16-18-39-27;1-3-21(2)27(32)29-26(24-12-8-5-9-13-24)28(33)31-19-16-23-15-18-30(20-25(23)31)17-14-22-10-6-4-7-11-22;1-3-17(2)25(33)30-23(18-8-5-4-6-9-18)27(34)31-15-7-10-22(31)26-29-21(16-35-26)24(32)19-11-13-20(28)14-12-19;1-3-17(2)23(32)27-22(19-13-8-5-9-14-19)26(34)31-16-10-15-20(31)24(33)28-25-21(29-30-35-25)18-11-6-4-7-12-18/h10-13,17-18,23-26,29-31,34,37,48-50,53-54H,7-9,14-16,19-22H2,1-6H3,(H,51,57);6-15,22-23,26-28,30H,5,16-21H2,1-4H3,(H,34,39)(H,35,40);6-9,20-23,25-26,28H,4-5,10-19H2,1-3H3,(H,35,40)(H,36,39);4,6-7,11-12,16,18-19,21-22,24H,3,5,8-10,13-15,17H2,1-2H3,(H,32,36)(H,34,37);4,6-7,10-11,21,23-26H,3,5,8-9,12-20H2,1-2H3,(H,29,32);11-14,16-18,22-23H,3-10,15H2,1-2H3,(H,30,33);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,27,32)(H,28,33)/t23-,24+,25-,26?,29+,30+,31+,34?,37+;23-,26-,27+,28+;20-,22-,23-,25-,26+,28+;19-,22+,24+;21-,23-,25-,26+;17-,22+,23+;17-,20+,22+/m1111111/s1.
What are the key properties of (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
(2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide has a molecular weight of 3984.18 g/mol, XLogP of 33.17, 68 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-2-[(3aR,7aS)-6-(2-phenylethyl)-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(5S,8S,10aR)-N-benzhydryl-3-(3-methylbutanoyl)-5-[[(2R)-2-methylbutanoyl]amino]-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide;(3S,7R,8aR)-2-[(2S)-2-(4,4-difluorocyclohexyl)-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-7-ethoxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-[4-(4-fluorobenzoyl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(1,3-oxazol-2-yl)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(2S)-1-[(2R,4S)-2-[[2-[3-[[(4S)-2-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-hydroxycyclopentyl]methyl]-6-fluoro-1H-indol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-hydroxypyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 162292257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).