About (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide
(2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide (PubChem CID 158472139) has the molecular formula C140H176N14O24S3
and a molecular weight of 2535.22 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide (CID 158472139) is (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide is Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3sccc3C)c(C)c2)on1.Cc1cc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)ccn1.Cc1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)c(C)c1.Cc1cccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)c1.Cc1ccsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@@H](C)CC(C)C)cc1.Cc1ccsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)cc1.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide?
The InChIKey is HGMBOZDAKJBXDD-UGKBFUARSA-N. The full InChI is InChI=1S/C28H38N2O4S.C27H37N3O4S.C25H28N2O4S.C21H26N2O4.C20H24N2O4.C19H23N3O4/c1-17(2)14-19(4)27(33)29-20(5)28(34)30-16-23(31)15-24(30)25(32)11-8-21-6-9-22(10-7-21)26-18(3)12-13-35-26;1-16(2)13-22(28)26(33)29-18(4)27(34)30-15-21(31)14-23(30)24(32)10-7-19-5-8-20(9-6-19)25-17(3)11-12-35-25;1-15-8-9-32-25(15)21-6-4-18(10-16(21)2)5-7-23(29)22-12-19(28)14-27(22)24(30)13-20-11-17(3)26-31-20;1-13-4-5-16(14(2)8-13)6-7-20(25)19-10-17(24)12-23(19)21(26)11-18-9-15(3)22-27-18;1-13-4-3-5-15(8-13)6-7-19(24)18-10-16(23)12-22(18)20(25)11-17-9-14(2)21-26-17;1-12-7-14(5-6-20-12)3-4-18(24)17-9-15(23)11-22(17)19(25)10-16-8-13(2)21-26-16/h6-7,9-10,12-13,17,19-20,23-24,31H,8,11,14-16H2,1-5H3,(H,29,33);5-6,8-9,11-12,16,18,21-23,31H,7,10,13-15,28H2,1-4H3,(H,29,33);4,6,8-11,19,22,28H,5,7,12-14H2,1-3H3;4-5,8-9,17,19,24H,6-7,10-12H2,1-3H3;3-5,8-9,16,18,23H,6-7,10-12H2,1-2H3;5-8,15,17,23H,3-4,9-11H2,1-2H3/t19-,20-,23+,24-;18-,21+,22-,23-;19-,22+;17-,19+;16-,18+;15-,17+/m001111/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide?
(2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide has a molecular weight of 2535.22 g/mol, XLogP of 17.17, 45 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-methylpentanamide;3-(2,4-dimethylphenyl)-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[3-methyl-4-(3-methylthiophen-2-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(3-methylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(2-methyl-4-pyridinyl)propan-1-one;(2S)-N-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-methylthiophen-2-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-2,4-dimethylpentanamide is sourced from PubChem (CID 158472139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).