(2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide

C70H93Cl2F3N12O14S2 — CID 162128787

About (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide

(2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 162128787) has the molecular formula C70H93Cl2F3N12O14S2 and a molecular weight of 1518.62 g/mol. Its IUPAC name is (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 162128787
• Molecular Formula: C70H93Cl2F3N12O14S2
• Molecular Weight: 1518.62 g/mol
• Exact Mass: 1516.57
• IUPAC Name: (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide
• SMILES: CCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(Cl)cc2)CN1C(=O)[C@@H](CCC1CCNCC1)NS(C)(=O)=O)C(=O)c1nnc(Cc2ccccc2)o1.CS(=O)(=O)N[C@H](CCC1CCNCC1)C(=O)N1C[C@H](OCc2ccc(Cl)cc2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)c1noc(C(F)(F)F)n1
• InChI: InChI=1S/C36H47ClN6O7S.C34H46ClF3N6O7S/c1-3-7-29(33(44)35-41-40-32(50-35)20-25-8-5-4-6-9-25)39-34(45)31-21-28(49-23-26-10-13-27(37)14-11-26)22-43(31)36(46)30(42-51(2,47)48)15-12-24-16-18-38-19-17-24;1-52(48,49)43-26(12-9-21-13-15-39-16-14-21)32(47)44-19-25(50-20-23-7-10-24(35)11-8-23)18-28(44)31(46)40-27(17-22-5-3-2-4-6-22)29(45)30-41-33(51-42-30)34(36,37)38/h4-6,8-11,13-14,24,28-31,38,42H,3,7,12,15-23H2,1-2H3,(H,39,45);7-8,10-11,21-22,25-28,39,43H,2-6,9,12-20H2,1H3,(H,40,46)/t28-,29+,30-,31+;25-,26-,27+,28+/m11/s1
• InChIKey: ZIJVQGDSKBVMIS-UOOYGESLSA-N
• XLogP: 7.93
• TPSA: 345.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 32
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1518.62
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide (CID 162128787) is (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide is CCC[C@H](NC(=O)[C@@H]1C[C@@H](OCc2ccc(Cl)cc2)CN1C(=O)[C@@H](CCC1CCNCC1)NS(C)(=O)=O)C(=O)c1nnc(Cc2ccccc2)o1.CS(=O)(=O)N[C@H](CCC1CCNCC1)C(=O)N1C[C@H](OCc2ccc(Cl)cc2)C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)c1noc(C(F)(F)F)n1.

What is the InChIKey of (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide?

The InChIKey is ZIJVQGDSKBVMIS-UOOYGESLSA-N. The full InChI is InChI=1S/C36H47ClN6O7S.C34H46ClF3N6O7S/c1-3-7-29(33(44)35-41-40-32(50-35)20-25-8-5-4-6-9-25)39-34(45)31-21-28(49-23-26-10-13-27(37)14-11-26)22-43(31)36(46)30(42-51(2,47)48)15-12-24-16-18-38-19-17-24;1-52(48,49)43-26(12-9-21-13-15-39-16-14-21)32(47)44-19-25(50-20-23-7-10-24(35)11-8-23)18-28(44)31(46)40-27(17-22-5-3-2-4-6-22)29(45)30-41-33(51-42-30)34(36,37)38/h4-6,8-11,13-14,24,28-31,38,42H,3,7,12,15-23H2,1-2H3,(H,39,45);7-8,10-11,21-22,25-28,39,43H,2-6,9,12-20H2,1H3,(H,40,46)/t28-,29+,30-,31+;25-,26-,27+,28+/m11/s1.

What are the key properties of (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide?

(2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 1518.62 g/mol, XLogP of 7.93, 32 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-N-[(2S)-1-(5-benzyl-1,3,4-oxadiazol-2-yl)-1-oxopentan-2-yl]-4-[(4-chlorophenyl)methoxy]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide;(2S,4R)-4-[(4-chlorophenyl)methoxy]-N-[(2S)-3-cyclohexyl-1-oxo-1-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-1-[(2R)-2-(methanesulfonamido)-4-piperidin-4-ylbutanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162128787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).