About N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide
N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide (PubChem CID 158372577) has the molecular formula C148H178F2N22O19
and a molecular weight of 2607.18 g/mol. Its IUPAC name is N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide.
Frequently Asked Questions
What is the IUPAC name of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide?
The IUPAC name of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide (CID 158372577) is N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide is C[C@H](CC(=O)[C@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)CC1CCOCC1)c1ncc(Cc2ccccc2)[nH]1.C[C@H](CC(=O)[C@H](CC(=O)N1CCC[C@@H]1c1ccccc1)NC(=O)CC1CC1)c1ncc(Cc2ccccc2)[nH]1.Cc1cc(C(=O)C[C@@H](CC(=O)N2CCC[C@@H]2c2ccccc2)C(=O)N[C@@H](C)C2=NC=C(c3ccccc3)C2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccc(F)cc3)[nH]2)no1.Cc1cc(C(=O)N[C@@H](CC(=O)N2CCCC[C@@H]2C)C(=O)C[C@@H](C)c2ncc(-c3ccccc3F)[nH]2)no1.
What is the InChIKey of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide?
The InChIKey is GUUHYZOCINXHDB-BONLQGDDSA-N. The full InChI is InChI=1S/C32H34N4O4.C32H38N4O3.C30H42N4O4.2C27H32FN5O4/c1-21-16-28(35-40-21)30(37)18-25(19-31(38)36-15-9-14-29(36)24-12-7-4-8-13-24)32(39)34-22(2)27-17-26(20-33-27)23-10-5-3-6-11-23;1-22(32-33-21-26(34-32)18-23-9-4-2-5-10-23)17-29(37)27(35-30(38)19-24-14-15-24)20-31(39)36-16-8-13-28(36)25-11-6-3-7-12-25;1-21(30-31-20-25(32-30)17-23-9-4-3-5-10-23)16-27(35)26(19-29(37)34-13-7-6-8-22(34)2)33-28(36)18-24-11-14-38-15-12-24;1-16(26-29-15-23(30-26)19-9-4-5-10-20(19)28)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-7-6-8-17(33)2;1-16(26-29-15-23(30-26)19-7-9-20(28)10-8-19)12-24(34)21(31-27(36)22-13-18(3)37-32-22)14-25(35)33-11-5-4-6-17(33)2/h3-8,10-13,16,20,22,25,29H,9,14-15,17-19H2,1-2H3,(H,34,39);2-7,9-12,21-22,24,27-28H,8,13-20H2,1H3,(H,33,34)(H,35,38);3-5,9-10,20-22,24,26H,6-8,11-19H2,1-2H3,(H,31,32)(H,33,36);4-5,9-10,13,15-17,21H,6-8,11-12,14H2,1-3H3,(H,29,30)(H,31,36);7-10,13,15-17,21H,4-6,11-12,14H2,1-3H3,(H,29,30)(H,31,36)/t22-,25-,29+;22-,27+,28-;21-,22+,26+;2*16-,17+,21+/m01111/s1.
What are the key properties of N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide?
N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide has a molecular weight of 2607.18 g/mol, XLogP of 22.90, 51 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1,4-dioxo-1-[(2R)-2-phenylpyrrolidin-1-yl]heptan-3-yl]-2-cyclopropylacetamide;N-[(3S,6R)-6-(5-benzyl-1H-imidazol-2-yl)-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-2-(oxan-4-yl)acetamide;N-[(3S,6R)-6-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;N-[(3S,6R)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1-[(2S)-2-methylpiperidin-1-yl]-1,4-dioxoheptan-3-yl]-5-methyl-1,2-oxazole-3-carboxamide;(2S)-2-[2-(5-methyl-1,2-oxazol-3-yl)-2-oxoethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-phenyl-3H-pyrrol-2-yl)ethyl]butanamide is sourced from PubChem (CID 158372577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).