(2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

C251H265Cl2N35O42S11 — CID 158423698

About (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide

(2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (PubChem CID 158423698) has the molecular formula C251H265Cl2N35O42S11 and a molecular weight of 4867.73 g/mol. Its IUPAC name is (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.

Molecular Properties

• Compound Name: (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
• PubChem CID: 158423698
• Molecular Formula: C251H265Cl2N35O42S11
• Molecular Weight: 4867.73 g/mol
• Exact Mass: 4862.60
• IUPAC Name: (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide
• SMILES: Cc1cc(C)n(Cc2csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)c2)n1.Cc1nc2ccccc2n1Cc1cc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)c1.O=C(NCc1cc(C(O)c2ccccc2N2CCOCC2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1cc(Cc2cccs2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1cc(Cn2cccn2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1cc(Cn2cnc3ccccc32)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(CC2CCCCC2)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
• InChI: InChI=1S/C28H29ClN4O4S.C28H31N3O6S.3C26H26N4O4S.C25H24N4O4S.C24H25ClN2O4S2.C24H30N2O4S.C23H26N4O4S.C21H22N4O4S/c1-17-31-22-8-2-3-9-24(22)33(17)15-18-12-21(38-16-18)14-30-27(36)25(34)26(35)28(37)32-11-5-10-23(32)19-6-4-7-20(29)13-19;32-24(22-7-3-4-8-23(22)30-9-11-37-12-10-30)20-13-21(38-17-20)14-29-27(35)25(33)26(34)28(36)31-15-18-5-1-2-6-19(18)16-31;1-16-28-21-8-4-5-9-22(21)30(16)12-17-10-20(35-15-17)11-27-25(33)23(31)24(32)26(34)29-13-18-6-2-3-7-19(18)14-29;1-16-28-21-8-4-5-9-22(21)30(16)14-20-10-17(15-35-20)11-27-25(33)23(31)24(32)26(34)29-12-18-6-2-3-7-19(18)13-29;1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29;30-22(23(31)25(33)28-12-17-5-1-2-6-18(17)13-28)24(32)26-10-19-9-16(14-34-19)11-29-15-27-20-7-3-4-8-21(20)29;25-17-5-1-4-16(12-17)20-7-2-8-27(20)24(31)22(29)21(28)23(30)26-13-19-11-15(14-33-19)10-18-6-3-9-32-18;27-21(22(28)24(30)26-14-17-8-4-5-9-18(17)15-26)23(29)25-13-20-11-10-19(31-20)12-16-6-2-1-3-7-16;1-14-7-15(2)27(25-14)10-16-8-19(32-13-16)9-24-22(30)20(28)21(29)23(31)26-11-17-5-3-4-6-18(17)12-26;26-18(19(27)21(29)24-11-15-4-1-2-5-16(15)12-24)20(28)22-9-17-8-14(13-30-17)10-25-7-3-6-23-25/h2-4,6-9,12-13,16,23,25-26,34-35H,5,10-11,14-15H2,1H3,(H,30,36);1-8,13,17,24-26,32-34H,9-12,14-16H2,(H,29,35);2*2-10,15,23-24,31-32H,11-14H2,1H3,(H,27,33);2-11,23-24,31-32H,12-15H2,1H3,(H,27,33);1-9,14-15,22-23,30-31H,10-13H2,(H,26,32);1,3-6,9,11-12,14,20-22,28-29H,2,7-8,10,13H2,(H,26,30);4-5,8-11,16,21-22,27-28H,1-3,6-7,12-15H2,(H,25,29);3-8,13,20-21,28-29H,9-12H2,1-2H3,(H,24,30);1-8,13,18-19,26-27H,9-12H2,(H,22,28)/t23-,25-,26-;24?,25-,26-;3*23-,24-;22-,23-;20-,21-,22-;21-,22-;20-,21-;18-,19-/m1111111111/s1
• InChIKey: HAUGPTLBFMRYDS-CVSKADMWSA-N
• XLogP: 23.26
• TPSA: 1056.14 Ų
• H-Bond Donors: 31
• H-Bond Acceptors: 68
• Rotatable Bonds: 73
• Heavy Atoms: 341
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4867.73
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	31
H-Bond Acceptors ≤ 10	68

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?

The IUPAC name of (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide (CID 158423698) is (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide.

What is the SMILES notation for (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?

The canonical SMILES for (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is Cc1cc(C)n(Cc2csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N3Cc4ccccc4C3)c2)n1.Cc1nc2ccccc2n1Cc1cc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)cs1.Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)c1.Cc1nc2ccccc2n1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)c1.O=C(NCc1cc(C(O)c2ccccc2N2CCOCC2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1cc(Cc2cccs2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1.O=C(NCc1cc(Cn2cccn2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1cc(Cn2cnc3ccccc32)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.O=C(NCc1ccc(CC2CCCCC2)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.

What is the InChIKey of (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?

The InChIKey is HAUGPTLBFMRYDS-CVSKADMWSA-N. The full InChI is InChI=1S/C28H29ClN4O4S.C28H31N3O6S.3C26H26N4O4S.C25H24N4O4S.C24H25ClN2O4S2.C24H30N2O4S.C23H26N4O4S.C21H22N4O4S/c1-17-31-22-8-2-3-9-24(22)33(17)15-18-12-21(38-16-18)14-30-27(36)25(34)26(35)28(37)32-11-5-10-23(32)19-6-4-7-20(29)13-19;32-24(22-7-3-4-8-23(22)30-9-11-37-12-10-30)20-13-21(38-17-20)14-29-27(35)25(33)26(34)28(36)31-15-18-5-1-2-6-19(18)16-31;1-16-28-21-8-4-5-9-22(21)30(16)12-17-10-20(35-15-17)11-27-25(33)23(31)24(32)26(34)29-13-18-6-2-3-7-19(18)14-29;1-16-28-21-8-4-5-9-22(21)30(16)14-20-10-17(15-35-20)11-27-25(33)23(31)24(32)26(34)29-12-18-6-2-3-7-19(18)13-29;1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29;30-22(23(31)25(33)28-12-17-5-1-2-6-18(17)13-28)24(32)26-10-19-9-16(14-34-19)11-29-15-27-20-7-3-4-8-21(20)29;25-17-5-1-4-16(12-17)20-7-2-8-27(20)24(31)22(29)21(28)23(30)26-13-19-11-15(14-33-19)10-18-6-3-9-32-18;27-21(22(28)24(30)26-14-17-8-4-5-9-18(17)15-26)23(29)25-13-20-11-10-19(31-20)12-16-6-2-1-3-7-16;1-14-7-15(2)27(25-14)10-16-8-19(32-13-16)9-24-22(30)20(28)21(29)23(31)26-11-17-5-3-4-6-18(17)12-26;26-18(19(27)21(29)24-11-15-4-1-2-5-16(15)12-24)20(28)22-9-17-8-14(13-30-17)10-25-7-3-6-23-25/h2-4,6-9,12-13,16,23,25-26,34-35H,5,10-11,14-15H2,1H3,(H,30,36);1-8,13,17,24-26,32-34H,9-12,14-16H2,(H,29,35);2*2-10,15,23-24,31-32H,11-14H2,1H3,(H,27,33);2-11,23-24,31-32H,12-15H2,1H3,(H,27,33);1-9,14-15,22-23,30-31H,10-13H2,(H,26,32);1,3-6,9,11-12,14,20-22,28-29H,2,7-8,10,13H2,(H,26,30);4-5,8-11,16,21-22,27-28H,1-3,6-7,12-15H2,(H,25,29);3-8,13,20-21,28-29H,9-12H2,1-2H3,(H,24,30);1-8,13,18-19,26-27H,9-12H2,(H,22,28)/t23-,25-,26-;24?,25-,26-;3*23-,24-;22-,23-;20-,21-,22-;21-,22-;20-,21-;18-,19-/m1111111111/s1.

What are the key properties of (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide?

(2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide has a molecular weight of 4867.73 g/mol, XLogP of 23.26, 73 rotatable bonds, 31 hydrogen bond donors, and 68 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-N-[[4-(benzimidazol-1-ylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-[(2R)-2-(3-chlorophenyl)pyrrolidin-1-yl]-2,3-dihydroxy-4-oxo-N-[[4-(thiophen-2-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-N-[[5-(cyclohexylmethyl)thiophen-2-yl]methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[hydroxy-(2-morpholin-4-ylphenyl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[5-[(2-methylbenzimidazol-1-yl)methyl]thiophen-3-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxo-N-[[4-(pyrazol-1-ylmethyl)thiophen-2-yl]methyl]butanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-N-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2,3-dihydroxy-4-oxobutanamide is sourced from PubChem (CID 158423698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).