(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide

C176H224F18N28O16 — CID 158420623

IUPAC(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
SMILESCCC(CC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C2CC2)[nH]c2cc(F)ccc12.CC[C@@H](C)C(=O)N[C@@H](CC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)C)nc2cc(F)ccc21
InChIInChI=1S/C45H59F4N7O4.C44H55F4N7O4.C44H57F4N7O4.C43H53F6N7O4/c1-9-24(3)42(58)53-40(45(5,6)7)44(60)55-22-30(49)17-32(55)23-56-37-14-12-28(47)19-36(37)52-41(56)39-34(33-13-11-27(46)18-35(33)51-39)20-31-16-29(48)21-54(31)43(59)26(10-2)15-38(57)25(4)50-8;1-6-23(3)42(57)52-39(26-8-9-26)44(59)54-21-30(48)16-32(54)22-55-37-13-11-28(46)18-36(37)51-41(55)40-34(33-12-10-27(45)17-35(33)50-40)19-31-15-29(47)20-53(31)43(58)25(7-2)14-38(56)24(4)49-5;1-8-24(5)42(57)52-35(9-2)44(59)54-21-29(48)15-31(54)22-55-38-13-11-27(46)17-37(38)51-41(55)40-34(32-12-10-26(45)16-36(32)50-40)18-30-14-28(47)20-53(30)43(58)33(23(3)4)19-39(56)25(6)49-7;1-7-23(4)39(58)53-32(9-3)41(60)56-22-43(48,49)19-29(56)20-54-35-13-11-27(45)16-34(35)52-38(54)37-31(30-12-10-26(44)15-33(30)51-37)17-28-18-42(46,47)21-55(28)40(59)25(8-2)14-36(57)24(5)50-6/h11-14,18-19,24-26,29-32,40,50-51H,9-10,15-17,20-23H2,1-8H3,(H,53,58);10-13,17-18,23-26,29-32,39,49-50H,6-9,14-16,19-22H2,1-5H3,(H,52,57);10-13,16-17,23-25,28-31,33,35,49-50H,8-9,14-15,18-22H2,1-7H3,(H,52,57);10-13,15-16,23-25,28-29,32,50-51H,7-9,14,17-22H2,1-6H3,(H,53,58)/t24-,25+,26?,29+,30+,31+,32+,40-;23-,24+,25?,29+,30+,31+,32+,39+;24-,25+,28+,29+,30+,31+,33+,35+;23-,24+,25?,28-,29+,32+/m1111/s1
InChIKeyHALFSDHJNIUYHU-DTRJZQRTSA-N
MW3329.87 g/mol
LogP27.15
Rot. Bonds63

About (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide

(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide (PubChem CID 158420623) has the molecular formula C176H224F18N28O16 and a molecular weight of 3329.87 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
PubChem CID158420623
Molecular FormulaC176H224F18N28O16
Molecular Weight3329.87 g/mol
Exact Mass3327.73
IUPAC Name(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide
SMILESCCC(CC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C2CC2)[nH]c2cc(F)ccc12.CC[C@@H](C)C(=O)N[C@@H](CC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)C)nc2cc(F)ccc21
InChIInChI=1S/C45H59F4N7O4.C44H55F4N7O4.C44H57F4N7O4.C43H53F6N7O4/c1-9-24(3)42(58)53-40(45(5,6)7)44(60)55-22-30(49)17-32(55)23-56-37-14-12-28(47)19-36(37)52-41(56)39-34(33-13-11-27(46)18-35(33)51-39)20-31-16-29(48)21-54(31)43(59)26(10-2)15-38(57)25(4)50-8;1-6-23(3)42(57)52-39(26-8-9-26)44(59)54-21-30(48)16-32(54)22-55-37-13-11-28(46)18-36(37)51-41(55)40-34(33-12-10-27(45)17-35(33)50-40)19-31-15-29(47)20-53(31)43(58)25(7-2)14-38(56)24(4)49-5;1-8-24(5)42(57)52-35(9-2)44(59)54-21-29(48)15-31(54)22-55-38-13-11-27(46)17-37(38)51-41(55)40-34(32-12-10-26(45)16-36(32)50-40)18-30-14-28(47)20-53(30)43(58)33(23(3)4)19-39(56)25(6)49-7;1-7-23(4)39(58)53-32(9-3)41(60)56-22-43(48,49)19-29(56)20-54-35-13-11-27(45)16-34(35)52-38(54)37-31(30-12-10-26(44)15-33(30)51-37)17-28-18-42(46,47)21-55(28)40(59)25(8-2)14-36(57)24(5)50-6/h11-14,18-19,24-26,29-32,40,50-51H,9-10,15-17,20-23H2,1-8H3,(H,53,58);10-13,17-18,23-26,29-32,39,49-50H,6-9,14-16,19-22H2,1-5H3,(H,52,57);10-13,16-17,23-25,28-31,33,35,49-50H,8-9,14-15,18-22H2,1-7H3,(H,52,57);10-13,15-16,23-25,28-29,32,50-51H,7-9,14,17-22H2,1-6H3,(H,53,58)/t24-,25+,26?,29+,30+,31+,32+,40-;23-,24+,25?,29+,30+,31+,32+,39+;24-,25+,28+,29+,30+,31+,33+,35+;23-,24+,25?,28-,29+,32+/m1111/s1
InChIKeyHALFSDHJNIUYHU-DTRJZQRTSA-N
XLogP27.15
TPSA529.72 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds63
Heavy Atoms238
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.87
LogP ≤ 527.15
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[2-[[2-[3-[[4,4-difluoro-1-[5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;N-[1-[2-[[5-fluoro-2-[6-fluoro-3-[[4-fluoro-1-[5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide
CID 158231829
(2S)-N-[(2S)-1-[(2R,4S)-2-[[2-[1-[[(2S,4S)-1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-fluoropyrrolidin-2-yl]methyl]-5-fluorobenzimidazol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 138622649
(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide
CID 158101035
N-[1-cyclobutyl-2-[2-[[2-[3-[[1-[2-cyclobutyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;N-[1-[2-[[2-[3-[[1-[2-ethyl-5-(methylamino)-4-oxohexanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide;N-[1-[4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[4-fluoro-1-[5-(methylamino)-4-oxo-2-propylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]-2-methylbutanamide;N-[1-[2-[[5-fluoro-2-[6-fluoro-3-[[1-[5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide
CID 160872045
N-[1-[2-[[2-[3-[[1-[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
CID 138622522
N-[1-cyclobutyl-2-[2-[[2-[1-[[1-[2-cyclobutyl-2-[2-(methylamino)propanoylamino]acetyl]-4-fluoropyrrolidin-2-yl]methyl]-5-fluorobenzimidazol-2-yl]-6-fluoro-1H-indol-3-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 138622555
(2S)-N-[(2S)-1-[(2R,4S)-4-fluoro-2-[[6-fluoro-2-[5-fluoro-1-[[(1S,2S,5R)-3-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-azabicyclo[3.2.0]hept-6-en-2-yl]methyl]benzimidazol-2-yl]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 145388718
(2S)-N-[(2S)-1-[(2S)-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 138622543
(2S)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 138622554
(2S)-N-[(2S)-1-[(2R,4S)-4-fluoro-2-[[6-fluoro-2-[5-fluoro-1-[[(2S,5R)-3-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-3-azabicyclo[3.1.0]hexan-2-yl]methyl]benzimidazol-2-yl]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 138622505
N-[1-[4-fluoro-2-[[6-fluoro-2-[5-fluoro-1-[(4-fluoro-1-formylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1H-indol-3-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 145388656
N-[1-[2-[[5-fluoro-2-[6-fluoro-3-[[1-[5-(methylamino)-4-oxo-2-propylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-methylbutanamide
CID 157437978

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide (CID 158420623) is (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide is CCC(CC(=O)[C@H](C)NC)C(=O)N1CC(F)(F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2CC(F)(F)CN2C(=O)[C@H](CC)NC(=O)[C@H](C)CC)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C)[nH]c2cc(F)ccc12.CCC(CC(=O)[C@H](C)NC)C(=O)N1C[C@@H](F)C[C@H]1Cc1c(-c2nc3cc(F)ccc3n2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](NC(=O)[C@H](C)CC)C2CC2)[nH]c2cc(F)ccc12.CC[C@@H](C)C(=O)N[C@@H](CC)C(=O)N1C[C@@H](F)C[C@H]1Cn1c(-c2[nH]c3cc(F)ccc3c2C[C@@H]2C[C@H](F)CN2C(=O)[C@@H](CC(=O)[C@H](C)NC)C(C)C)nc2cc(F)ccc21.
What is the InChIKey of (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
The InChIKey is HALFSDHJNIUYHU-DTRJZQRTSA-N. The full InChI is InChI=1S/C45H59F4N7O4.C44H55F4N7O4.C44H57F4N7O4.C43H53F6N7O4/c1-9-24(3)42(58)53-40(45(5,6)7)44(60)55-22-30(49)17-32(55)23-56-37-14-12-28(47)19-36(37)52-41(56)39-34(33-13-11-27(46)18-35(33)51-39)20-31-16-29(48)21-54(31)43(59)26(10-2)15-38(57)25(4)50-8;1-6-23(3)42(57)52-39(26-8-9-26)44(59)54-21-30(48)16-32(54)22-55-37-13-11-28(46)18-36(37)51-41(55)40-34(33-12-10-27(45)17-35(33)50-40)19-31-15-29(47)20-53(31)43(58)25(7-2)14-38(56)24(4)49-5;1-8-24(5)42(57)52-35(9-2)44(59)54-21-29(48)15-31(54)22-55-38-13-11-27(46)17-37(38)51-41(55)40-34(32-12-10-26(45)16-36(32)50-40)18-30-14-28(47)20-53(30)43(58)33(23(3)4)19-39(56)25(6)49-7;1-7-23(4)39(58)53-32(9-3)41(60)56-22-43(48,49)19-29(56)20-54-35-13-11-27(45)16-34(35)52-38(54)37-31(30-12-10-26(44)15-33(30)51-37)17-28-18-42(46,47)21-55(28)40(59)25(8-2)14-36(57)24(5)50-6/h11-14,18-19,24-26,29-32,40,50-51H,9-10,15-17,20-23H2,1-8H3,(H,53,58);10-13,17-18,23-26,29-32,39,49-50H,6-9,14-16,19-22H2,1-5H3,(H,52,57);10-13,16-17,23-25,28-31,33,35,49-50H,8-9,14-15,18-22H2,1-7H3,(H,52,57);10-13,15-16,23-25,28-29,32,50-51H,7-9,14,17-22H2,1-6H3,(H,53,58)/t24-,25+,26?,29+,30+,31+,32+,40-;23-,24+,25?,29+,30+,31+,32+,39+;24-,25+,28+,29+,30+,31+,33+,35+;23-,24+,25?,28-,29+,32+/m1111/s1.
What are the key properties of (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide?
(2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide has a molecular weight of 3329.87 g/mol, XLogP of 27.15, 63 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-cyclopropyl-2-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S)-2-[[2-[3-[[(2R)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4,4-difluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4,4-difluoropyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-2-[[2-[3-[[(2R,4S)-1-[(2R,5S)-2-ethyl-5-(methylamino)-4-oxohexanoyl]-4-fluoropyrrolidin-2-yl]methyl]-6-fluoro-1H-indol-2-yl]-5-fluorobenzimidazol-1-yl]methyl]-4-fluoropyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-methylbutanamide;(2R)-N-[(2S)-1-[(2S,4S)-4-fluoro-2-[[5-fluoro-2-[6-fluoro-3-[[(2R,4S)-4-fluoro-1-[(2S,5S)-5-(methylamino)-4-oxo-2-propan-2-ylhexanoyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]benzimidazol-1-yl]methyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-2-methylbutanamide is sourced from PubChem (CID 158420623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).