(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide

C198H216N24O34S8 — CID 159915404

About (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide

(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide (PubChem CID 159915404) has the molecular formula C198H216N24O34S8 and a molecular weight of 3732.58 g/mol. Its IUPAC name is (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
• PubChem CID: 159915404
• Molecular Formula: C198H216N24O34S8
• Molecular Weight: 3732.58 g/mol
• Exact Mass: 3729.37
• IUPAC Name: (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide
• SMILES: CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1)C1CCCCC1.COc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCc3ccccc32)n1.COc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)n1.C[C@H](c1cccc2ccccc12)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1C1CCCCC1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1
• InChI: InChI=1S/C30H35N3O4S.C28H29N3O4S.2C24H25N3O5S.C24H27N3O4S.2C23H23N3O4S.C22H29N3O4S/c34-27(29(36)31-18-25-32-23(19-38-25)17-20-9-3-1-4-10-20)28(35)30(37)33-16-15-21-11-7-8-14-24(21)26(33)22-12-5-2-6-13-22;1-18(22-14-8-12-20-11-6-7-13-23(20)22)31(2)28(35)26(33)25(32)27(34)29-16-24-30-21(17-36-24)15-19-9-4-3-5-10-19;1-32-19-9-5-3-7-16(19)12-17-14-33-20(26-17)13-25-23(30)21(28)22(29)24(31)27-11-10-15-6-2-4-8-18(15)27;1-32-19-9-5-4-6-15(19)10-18-14-33-20(26-18)11-25-23(30)21(28)22(29)24(31)27-12-16-7-2-3-8-17(16)13-27;1-16(18-11-7-4-8-12-18)27(2)24(31)22(29)21(28)23(30)25-14-20-26-19(15-32-20)13-17-9-5-3-6-10-17;27-20(21(28)23(30)26-12-16-8-4-5-9-17(16)13-26)22(29)24-11-19-25-18(14-31-19)10-15-6-2-1-3-7-15;27-20(21(28)23(30)26-11-10-16-8-4-5-9-18(16)26)22(29)24-13-19-25-17(14-31-19)12-15-6-2-1-3-7-15;1-25(17-10-6-3-7-11-17)22(29)20(27)19(26)21(28)23-13-18-24-16(14-30-18)12-15-8-4-2-5-9-15/h1,3-4,7-11,14,19,22,26-28,34-35H,2,5-6,12-13,15-18H2,(H,31,36);3-14,17-18,25-26,32-33H,15-16H2,1-2H3,(H,29,34);2*2-9,14,21-22,28-29H,10-13H2,1H3,(H,25,30);3-12,15-16,21-22,28-29H,13-14H2,1-2H3,(H,25,30);2*1-9,14,20-21,27-28H,10-13H2,(H,24,29);2,4-5,8-9,14,17,19-20,26-27H,3,6-7,10-13H2,1H3,(H,23,28)/t26?,27-,28-;18-,25-,26-;2*21-,22-;16-,21-,22-;2*20-,21-;19-,20-/m11111111/s1
• InChIKey: NXSGXXZQFBUQJE-QAVGSPQXSA-N
• XLogP: 17.95
• TPSA: 840.54 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 50
• Rotatable Bonds: 64
• Heavy Atoms: 264
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3732.58
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?

The IUPAC name of (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide (CID 159915404) is (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide.

What is the SMILES notation for (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?

The canonical SMILES for (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide is CN(C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1)C1CCCCC1.COc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCc3ccccc32)n1.COc1ccccc1Cc1csc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)n1.C[C@H](c1cccc2ccccc12)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1.C[C@H](c1ccccc1)N(C)C(=O)[C@H](O)[C@@H](O)C(=O)NCc1nc(Cc2ccccc2)cs1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc21.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCc2ccccc2C1C1CCCCC1.O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1.

What is the InChIKey of (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?

The InChIKey is NXSGXXZQFBUQJE-QAVGSPQXSA-N. The full InChI is InChI=1S/C30H35N3O4S.C28H29N3O4S.2C24H25N3O5S.C24H27N3O4S.2C23H23N3O4S.C22H29N3O4S/c34-27(29(36)31-18-25-32-23(19-38-25)17-20-9-3-1-4-10-20)28(35)30(37)33-16-15-21-11-7-8-14-24(21)26(33)22-12-5-2-6-13-22;1-18(22-14-8-12-20-11-6-7-13-23(20)22)31(2)28(35)26(33)25(32)27(34)29-16-24-30-21(17-36-24)15-19-9-4-3-5-10-19;1-32-19-9-5-3-7-16(19)12-17-14-33-20(26-17)13-25-23(30)21(28)22(29)24(31)27-11-10-15-6-2-4-8-18(15)27;1-32-19-9-5-4-6-15(19)10-18-14-33-20(26-18)11-25-23(30)21(28)22(29)24(31)27-12-16-7-2-3-8-17(16)13-27;1-16(18-11-7-4-8-12-18)27(2)24(31)22(29)21(28)23(30)25-14-20-26-19(15-32-20)13-17-9-5-3-6-10-17;27-20(21(28)23(30)26-12-16-8-4-5-9-17(16)13-26)22(29)24-11-19-25-18(14-31-19)10-15-6-2-1-3-7-15;27-20(21(28)23(30)26-11-10-16-8-4-5-9-18(16)26)22(29)24-13-19-25-17(14-31-19)12-15-6-2-1-3-7-15;1-25(17-10-6-3-7-11-17)22(29)20(27)19(26)21(28)23-13-18-24-16(14-30-18)12-15-8-4-2-5-9-15/h1,3-4,7-11,14,19,22,26-28,34-35H,2,5-6,12-13,15-18H2,(H,31,36);3-14,17-18,25-26,32-33H,15-16H2,1-2H3,(H,29,34);2*2-9,14,21-22,28-29H,10-13H2,1H3,(H,25,30);3-12,15-16,21-22,28-29H,13-14H2,1-2H3,(H,25,30);2*1-9,14,20-21,27-28H,10-13H2,(H,24,29);2,4-5,8-9,14,17,19-20,26-27H,3,6-7,10-13H2,1H3,(H,23,28)/t26?,27-,28-;18-,25-,26-;2*21-,22-;16-,21-,22-;2*20-,21-;19-,20-/m11111111/s1.

What are the key properties of (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide?

(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide has a molecular weight of 3732.58 g/mol, XLogP of 17.95, 64 rotatable bonds, 24 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-N'-cyclohexyl-2,3-dihydroxy-N'-methylbutanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-4-oxobutanamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-naphthalen-1-ylethyl]butanediamide;(2R,3R)-N-[(4-benzyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroxy-N'-methyl-N'-[(1R)-1-phenylethyl]butanediamide;(2R,3R)-4-(2,3-dihydroindol-1-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide;(2R,3R)-4-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxy-N-[[4-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]methyl]-4-oxobutanamide is sourced from PubChem (CID 159915404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).