(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide

C130H174N26O16S6 — CID 157081723

About (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide (PubChem CID 157081723) has the molecular formula C130H174N26O16S6 and a molecular weight of 2549.39 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide.

Molecular Properties

• Compound Name: (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
• PubChem CID: 157081723
• Molecular Formula: C130H174N26O16S6
• Molecular Weight: 2549.39 g/mol
• Exact Mass: 2547.19
• IUPAC Name: (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
• SMILES: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)cc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(N)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)NNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.CN[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
• InChI: InChI=1S/C28H38N4O3S.C26H36N6O5S2.C26H35N5O3S.C25H34N6O3S.C25H31N5O2S/c1-18-17-22(20-11-6-4-7-12-20)27(36-18)31-26(34)23-15-10-16-32(23)28(35)24(21-13-8-5-9-14-21)30-25(33)19(2)29-3;1-16(28-2)22(33)29-21(18-12-7-4-8-13-18)25(35)32-15-9-14-19(32)23(34)31-24-20(17-10-5-3-6-11-17)30-26(38-24)39(27,36)37;1-17(27-2)23(32)29-22(19-12-7-4-8-13-19)26(34)31-15-9-14-20(31)24(33)30-25-21(28-16-35-25)18-10-5-3-6-11-18;1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17;1-16(26-2)23(31)27-21(18-12-7-4-8-13-18)24(32)29-30-25-28-22-19(14-9-15-20(22)33-25)17-10-5-3-6-11-17/h4,6-7,11-12,17,19,21,23-24,29H,5,8-10,13-16H2,1-3H3,(H,30,33)(H,31,34);3,5-6,10-11,16,18-19,21,28H,4,7-9,12-15H2,1-2H3,(H,29,33)(H,31,34)(H2,27,36,37);3,5-6,10-11,16-17,19-20,22,27H,4,7-9,12-15H2,1-2H3,(H,29,32)(H,30,33);3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33);3,5-6,9-11,14-16,18,21,26H,4,7-8,12-13H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t19-,23-,24-;16-,19-,21-;17-,20-,22-;16-,19-,21-;16-,21-/m00010/s1
• InChIKey: ADPWHCZSAMFAIX-PATFSIQHSA-N
• XLogP: 16.69
• TPSA: 569.03 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 32
• Rotatable Bonds: 41
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.39
LogP ≤ 5	16.69
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?

The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide (CID 157081723) is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide.

What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?

The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)cc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(N)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)NNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.CN[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.

What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?

The InChIKey is ADPWHCZSAMFAIX-PATFSIQHSA-N. The full InChI is InChI=1S/C28H38N4O3S.C26H36N6O5S2.C26H35N5O3S.C25H34N6O3S.C25H31N5O2S/c1-18-17-22(20-11-6-4-7-12-20)27(36-18)31-26(34)23-15-10-16-32(23)28(35)24(21-13-8-5-9-14-21)30-25(33)19(2)29-3;1-16(28-2)22(33)29-21(18-12-7-4-8-13-18)25(35)32-15-9-14-19(32)23(34)31-24-20(17-10-5-3-6-11-17)30-26(38-24)39(27,36)37;1-17(27-2)23(32)29-22(19-12-7-4-8-13-19)26(34)31-15-9-14-20(31)24(33)30-25-21(28-16-35-25)18-10-5-3-6-11-18;1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17;1-16(26-2)23(31)27-21(18-12-7-4-8-13-18)24(32)29-30-25-28-22-19(14-9-15-20(22)33-25)17-10-5-3-6-11-17/h4,6-7,11-12,17,19,21,23-24,29H,5,8-10,13-16H2,1-3H3,(H,30,33)(H,31,34);3,5-6,10-11,16,18-19,21,28H,4,7-9,12-15H2,1-2H3,(H,29,33)(H,31,34)(H2,27,36,37);3,5-6,10-11,16-17,19-20,22,27H,4,7-9,12-15H2,1-2H3,(H,29,32)(H,30,33);3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33);3,5-6,9-11,14-16,18,21,26H,4,7-8,12-13H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t19-,23-,24-;16-,19-,21-;17-,20-,22-;16-,19-,21-;16-,21-/m00010/s1.

What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide has a molecular weight of 2549.39 g/mol, XLogP of 16.69, 41 rotatable bonds, 17 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 157081723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).