4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate

C172H165ClN18O38 — CID 162190687

About 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate

4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate (PubChem CID 162190687) has the molecular formula C172H165ClN18O38 and a molecular weight of 3127.75 g/mol. Its IUPAC name is 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate.

Molecular Properties

• Compound Name: 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate
• PubChem CID: 162190687
• Molecular Formula: C172H165ClN18O38
• Molecular Weight: 3127.75 g/mol
• Exact Mass: 3125.12
• IUPAC Name: 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate
• SMILES: C/C(=C\c1ccc(C)cc1)C(=O)Cc1ccc(C(=O)O)cn1.C/C(=C\c1ccc(C)cc1)C(=O)Cl.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@@H](N)CC#N)cc3)c(OC)c2OCC=C)c(OC)c1OCC=C.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C/c5ccc(C)cc5)nc4)cc3)c(OC)c2OCC=C)c(OC)c1OCC=C.COC(=O)c1ccc(N)nc1.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C/c5ccc(O)cc5)nc4)cc3)c(OC)c2O)ccc(C(=O)O)c1O
• InChI: InChI=1S/C55H53N5O11.C45H39N5O12.C36H37N5O9.C18H17NO3.C11H11ClO.C7H8N2O2/c1-8-27-69-48-42(54(65)60-45-24-22-43(55(66)71-29-10-3)49(51(45)68-7)70-28-9-2)21-23-44(50(48)67-6)59-52(63)37-15-18-40(19-16-37)58-53(64)38(25-26-56)31-47(62)39-17-20-41(57-33-39)32-46(61)35(5)30-36-13-11-34(4)12-14-36;1-24(20-25-4-12-31(51)13-5-25)36(52)22-30-11-8-28(23-47-30)37(53)21-27(18-19-46)43(57)48-29-9-6-26(7-10-29)42(56)49-34-16-14-32(38(54)40(34)61-2)44(58)50-35-17-15-33(45(59)60)39(55)41(35)62-3;1-6-19-48-29-24(34(43)41-28-16-14-25(36(45)50-21-8-3)30(32(28)47-5)49-20-7-2)13-15-27(31(29)46-4)40-33(42)22-9-11-23(12-10-22)39-35(44)26(38)17-18-37;1-12-3-5-14(6-4-12)9-13(2)17(20)10-16-8-7-15(11-19-16)18(21)22;1-8-3-5-10(6-4-8)7-9(2)11(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h8-24,30,33,38H,1-3,25,27-29,31-32H2,4-7H3,(H,58,64)(H,59,63)(H,60,65);4-17,20,23,27,51,54-55H,18,21-22H2,1-3H3,(H,48,57)(H,49,56)(H,50,58)(H,59,60);6-16,26H,1-3,17,19-21,38H2,4-5H3,(H,39,44)(H,40,42)(H,41,43);3-9,11H,10H2,1-2H3,(H,21,22);3-7H,1-2H3;2-4H,1H3,(H2,8,9)/b35-30+;24-20+;;13-9+;9-7+;/t38-;27-;26-;;;/m110.../s1
• InChIKey: ZQGIWSWNIIVRBY-DERNAGSZSA-N
• XLogP: 27.49
• TPSA: 845.78 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 45
• Rotatable Bonds: 68
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3127.75
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate?

The IUPAC name of 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate (CID 162190687) is 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate.

What is the SMILES notation for 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate?

The canonical SMILES for 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate is C/C(=C\c1ccc(C)cc1)C(=O)Cc1ccc(C(=O)O)cn1.C/C(=C\c1ccc(C)cc1)C(=O)Cl.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@@H](N)CC#N)cc3)c(OC)c2OCC=C)c(OC)c1OCC=C.C=CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C/c5ccc(C)cc5)nc4)cc3)c(OC)c2OCC=C)c(OC)c1OCC=C.COC(=O)c1ccc(N)nc1.COc1c(NC(=O)c2ccc(NC(=O)c3ccc(NC(=O)[C@H](CC#N)CC(=O)c4ccc(CC(=O)/C(C)=C/c5ccc(O)cc5)nc4)cc3)c(OC)c2O)ccc(C(=O)O)c1O.

What is the InChIKey of 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate?

The InChIKey is ZQGIWSWNIIVRBY-DERNAGSZSA-N. The full InChI is InChI=1S/C55H53N5O11.C45H39N5O12.C36H37N5O9.C18H17NO3.C11H11ClO.C7H8N2O2/c1-8-27-69-48-42(54(65)60-45-24-22-43(55(66)71-29-10-3)49(51(45)68-7)70-28-9-2)21-23-44(50(48)67-6)59-52(63)37-15-18-40(19-16-37)58-53(64)38(25-26-56)31-47(62)39-17-20-41(57-33-39)32-46(61)35(5)30-36-13-11-34(4)12-14-36;1-24(20-25-4-12-31(51)13-5-25)36(52)22-30-11-8-28(23-47-30)37(53)21-27(18-19-46)43(57)48-29-9-6-26(7-10-29)42(56)49-34-16-14-32(38(54)40(34)61-2)44(58)50-35-17-15-33(45(59)60)39(55)41(35)62-3;1-6-19-48-29-24(34(43)41-28-16-14-25(36(45)50-21-8-3)30(32(28)47-5)49-20-7-2)13-15-27(31(29)46-4)40-33(42)22-9-11-23(12-10-22)39-35(44)26(38)17-18-37;1-12-3-5-14(6-4-12)9-13(2)17(20)10-16-8-7-15(11-19-16)18(21)22;1-8-3-5-10(6-4-8)7-9(2)11(12)13;1-11-7(10)5-2-3-6(8)9-4-5/h8-24,30,33,38H,1-3,25,27-29,31-32H2,4-7H3,(H,58,64)(H,59,63)(H,60,65);4-17,20,23,27,51,54-55H,18,21-22H2,1-3H3,(H,48,57)(H,49,56)(H,50,58)(H,59,60);6-16,26H,1-3,17,19-21,38H2,4-5H3,(H,39,44)(H,40,42)(H,41,43);3-9,11H,10H2,1-2H3,(H,21,22);3-7H,1-2H3;2-4H,1H3,(H2,8,9)/b35-30+;24-20+;;13-9+;9-7+;/t38-;27-;26-;;;/m110.../s1.

What are the key properties of 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate?

4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate has a molecular weight of 3127.75 g/mol, XLogP of 27.49, 68 rotatable bonds, 16 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-4-(4-hydroxyphenyl)-3-methyl-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-methoxybenzoyl]amino]-2-hydroxy-3-methoxybenzoic acid;methyl 6-aminopyridine-3-carboxylate;6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]pyridine-3-carboxylic acid;(E)-2-methyl-3-(4-methylphenyl)prop-2-enoyl chloride;prop-2-enyl 4-[[4-[[4-[[(2S)-2-amino-3-cyanopropanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate;prop-2-enyl 4-[[4-[[4-[[(2R)-2-(cyanomethyl)-4-[6-[(E)-3-methyl-4-(4-methylphenyl)-2-oxobut-3-enyl]-3-pyridinyl]-4-oxobutanoyl]amino]benzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoyl]amino]-3-methoxy-2-prop-2-enoxybenzoate is sourced from PubChem (CID 162190687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).