N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide

C191H167F4N17O41 — CID 161129802

About N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide

N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide (PubChem CID 161129802) has the molecular formula C191H167F4N17O41 and a molecular weight of 3432.51 g/mol. Its IUPAC name is N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide
• PubChem CID: 161129802
• Molecular Formula: C191H167F4N17O41
• Molecular Weight: 3432.51 g/mol
• Exact Mass: 3430.14
• IUPAC Name: N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide
• SMILES: CO/C(C(=O)Cc1ccc(C(=O)C[C@@H](CC#N)C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C(C)=O)c(O)c4OC)c(O)c3OC)cc2)cc1)=C(/C)c1ccc(F)cc1.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C#N)=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O
• InChI: InChI=1S/C48H40FN5O10.C48H43FN4O11.C48H43FN4O10.C47H41FN4O10/c1-26(29-9-13-33(49)14-10-29)37(25-51)41(57)23-28-5-7-30(8-6-28)40(56)24-32(21-22-50)47(61)52-34-15-11-31(12-16-34)46(60)53-38-20-18-36(43(59)45(38)64-4)48(62)54-39-19-17-35(27(2)55)42(58)44(39)63-3;1-26(29-10-14-33(49)15-11-29)43(62-3)40(56)24-28-6-8-30(9-7-28)39(55)25-32(22-23-50)47(60)51-34-16-12-31(13-17-34)46(59)52-37-21-19-36(42(58)45(37)64-5)48(61)53-38-20-18-35(27(2)54)41(57)44(38)63-4;1-26(30-10-14-34(49)15-11-30)27(2)40(55)24-29-6-8-31(9-7-29)41(56)25-33(22-23-50)47(60)51-35-16-12-32(13-17-35)46(59)52-38-21-19-37(43(58)45(38)63-5)48(61)53-39-20-18-36(28(3)54)42(57)44(39)62-4;1-26(29-9-13-33(48)14-10-29)23-35(54)24-28-5-7-30(8-6-28)40(55)25-32(21-22-49)46(59)50-34-15-11-31(12-16-34)45(58)51-38-20-18-37(42(57)44(38)62-4)47(60)52-39-19-17-36(27(2)53)41(56)43(39)61-3/h5-20,32,58-59H,21,23-24H2,1-4H3,(H,52,61)(H,53,60)(H,54,62);6-21,32,57-58H,22,24-25H2,1-5H3,(H,51,60)(H,52,59)(H,53,61);6-21,33,57-58H,22,24-25H2,1-5H3,(H,51,60)(H,52,59)(H,53,61);5-20,23,32,56-57H,21,24-25H2,1-4H3,(H,50,59)(H,51,58)(H,52,60)/b37-26+;43-26-;27-26+;26-23+/t2*32-;33-;32-/m1111/s1
• InChIKey: UMANVTBJYCCZPL-CDKTWAGQSA-N
• XLogP: 31.93
• TPSA: 917.90 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 46
• Rotatable Bonds: 69
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3432.51
LogP ≤ 5	31.93
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide?

The IUPAC name of N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide (CID 161129802) is N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide.

What is the SMILES notation for N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide?

The canonical SMILES for N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide is CO/C(C(=O)Cc1ccc(C(=O)C[C@@H](CC#N)C(=O)Nc2ccc(C(=O)Nc3ccc(C(=O)Nc4ccc(C(C)=O)c(O)c4OC)c(O)c3OC)cc2)cc1)=C(/C)c1ccc(F)cc1.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C#N)=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C=C(\C)c5ccc(F)cc5)cc4)cc3)c(OC)c2O)ccc(C(C)=O)c1O.

What is the InChIKey of N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide?

The InChIKey is UMANVTBJYCCZPL-CDKTWAGQSA-N. The full InChI is InChI=1S/C48H40FN5O10.C48H43FN4O11.C48H43FN4O10.C47H41FN4O10/c1-26(29-9-13-33(49)14-10-29)37(25-51)41(57)23-28-5-7-30(8-6-28)40(56)24-32(21-22-50)47(61)52-34-15-11-31(12-16-34)46(60)53-38-20-18-36(43(59)45(38)64-4)48(62)54-39-19-17-35(27(2)55)42(58)44(39)63-3;1-26(29-10-14-33(49)15-11-29)43(62-3)40(56)24-28-6-8-30(9-7-28)39(55)25-32(22-23-50)47(60)51-34-16-12-31(13-17-34)46(59)52-37-21-19-36(42(58)45(37)64-5)48(61)53-38-20-18-35(27(2)54)41(57)44(38)63-4;1-26(30-10-14-34(49)15-11-30)27(2)40(55)24-29-6-8-31(9-7-29)41(56)25-33(22-23-50)47(60)51-35-16-12-32(13-17-35)46(59)52-38-21-19-37(43(58)45(38)63-5)48(61)53-39-20-18-36(28(3)54)42(57)44(39)62-4;1-26(29-9-13-33(48)14-10-29)23-35(54)24-28-5-7-30(8-6-28)40(55)25-32(21-22-49)46(59)50-34-15-11-31(12-16-34)45(58)51-38-20-18-37(42(57)44(38)62-4)47(60)52-39-19-17-36(27(2)53)41(56)43(39)61-3/h5-20,32,58-59H,21,23-24H2,1-4H3,(H,52,61)(H,53,60)(H,54,62);6-21,32,57-58H,22,24-25H2,1-5H3,(H,51,60)(H,52,59)(H,53,61);6-21,33,57-58H,22,24-25H2,1-5H3,(H,51,60)(H,52,59)(H,53,61);5-20,23,32,56-57H,21,24-25H2,1-4H3,(H,50,59)(H,51,58)(H,52,60)/b37-26+;43-26-;27-26+;26-23+/t2*32-;33-;32-/m1111/s1.

What are the key properties of N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide?

N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide has a molecular weight of 3432.51 g/mol, XLogP of 31.93, 69 rotatable bonds, 20 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-4-[4-[(E)-3-cyano-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-2-(cyanomethyl)-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(Z)-4-(4-fluorophenyl)-3-methoxy-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-3-methyl-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide;N-(4-acetyl-3-hydroxy-2-methoxyphenyl)-4-[[4-[[(2R)-2-(cyanomethyl)-4-[4-[(E)-4-(4-fluorophenyl)-2-oxopent-3-enyl]phenyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 161129802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).