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

C136H180N20O16S6 — CID 161340238

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(N)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CC[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)CNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1
InChIInChI=1S/C29H39N3O3S.C27H37N5O5S2.2C27H36N4O3S.C26H32N4O2S/c1-4-19(2)26(33)30-25(22-14-9-6-10-15-22)29(35)32-17-11-16-24(32)27(34)31-28-23(18-20(3)36-28)21-12-7-5-8-13-21;1-3-17(2)23(33)29-22(19-13-8-5-9-14-19)26(35)32-16-10-15-20(32)24(34)31-25-21(18-11-6-4-7-12-18)30-27(38-25)39(28,36)37;1-3-18(2)24(32)29-23(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)25(33)30-26-22(28-17-35-26)19-11-6-4-7-12-19;1-3-18(2)26(33)28-25(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)22(32)17-23-24(29-30-35-23)19-11-6-4-7-12-19;1-17(27-2)25(32)29-23(19-12-7-4-8-13-19)21(31)16-28-26-30-24-20(14-9-15-22(24)33-26)18-10-5-3-6-11-18/h5,7-8,12-13,18-19,22,24-25H,4,6,9-11,14-17H2,1-3H3,(H,30,33)(H,31,34);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,29,33)(H,31,34)(H2,28,36,37);4,6-7,11-12,17-18,20-21,23H,3,5,8-10,13-16H2,1-2H3,(H,29,32)(H,30,33);4,6-7,11-12,18,20-21,25H,3,5,8-10,13-17H2,1-2H3,(H,28,33);3,5-6,9-11,14-15,17,19,23,27H,4,7-8,12-13,16H2,1-2H3,(H,28,30)(H,29,32)/t19-,24+,25+;17-,20+,22+;18-,21+,23+;18-,21+,25+;17-,23-/m11100/s1
InChIKeyVMOJNHFLWATXEI-XZAGZUTDSA-N
MW2543.46 g/mol
LogP23.15
Rot. Bonds43

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

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide (PubChem CID 161340238) has the molecular formula C136H180N20O16S6 and a molecular weight of 2543.46 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide
PubChem CID161340238
Molecular FormulaC136H180N20O16S6
Molecular Weight2543.46 g/mol
Exact Mass2541.22
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(N)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CC[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)CNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1
InChIInChI=1S/C29H39N3O3S.C27H37N5O5S2.2C27H36N4O3S.C26H32N4O2S/c1-4-19(2)26(33)30-25(22-14-9-6-10-15-22)29(35)32-17-11-16-24(32)27(34)31-28-23(18-20(3)36-28)21-12-7-5-8-13-21;1-3-17(2)23(33)29-22(19-13-8-5-9-14-19)26(35)32-16-10-15-20(32)24(34)31-25-21(18-11-6-4-7-12-18)30-27(38-25)39(28,36)37;1-3-18(2)24(32)29-23(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)25(33)30-26-22(28-17-35-26)19-11-6-4-7-12-19;1-3-18(2)26(33)28-25(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)22(32)17-23-24(29-30-35-23)19-11-6-4-7-12-19;1-17(27-2)25(32)29-23(19-12-7-4-8-13-19)21(31)16-28-26-30-24-20(14-9-15-22(24)33-26)18-10-5-3-6-11-18/h5,7-8,12-13,18-19,22,24-25H,4,6,9-11,14-17H2,1-3H3,(H,30,33)(H,31,34);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,29,33)(H,31,34)(H2,28,36,37);4,6-7,11-12,17-18,20-21,23H,3,5,8-10,13-16H2,1-2H3,(H,29,32)(H,30,33);4,6-7,11-12,18,20-21,25H,3,5,8-10,13-17H2,1-2H3,(H,28,33);3,5-6,9-11,14-15,17,19,23,27H,4,7-8,12-13,16H2,1-2H3,(H,28,30)(H,29,32)/t19-,24+,25+;17-,20+,22+;18-,21+,23+;18-,21+,25+;17-,23-/m11100/s1
InChIKeyVMOJNHFLWATXEI-XZAGZUTDSA-N
XLogP23.15
TPSA496.85 Ų
H-Bond Donors11
H-Bond Acceptors28
Rotatable Bonds43
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002543.46
LogP ≤ 523.15
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1028

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide (CID 161340238) is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(N)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CC[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)CNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
The InChIKey is VMOJNHFLWATXEI-XZAGZUTDSA-N. The full InChI is InChI=1S/C29H39N3O3S.C27H37N5O5S2.2C27H36N4O3S.C26H32N4O2S/c1-4-19(2)26(33)30-25(22-14-9-6-10-15-22)29(35)32-17-11-16-24(32)27(34)31-28-23(18-20(3)36-28)21-12-7-5-8-13-21;1-3-17(2)23(33)29-22(19-13-8-5-9-14-19)26(35)32-16-10-15-20(32)24(34)31-25-21(18-11-6-4-7-12-18)30-27(38-25)39(28,36)37;1-3-18(2)24(32)29-23(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)25(33)30-26-22(28-17-35-26)19-11-6-4-7-12-19;1-3-18(2)26(33)28-25(20-13-8-5-9-14-20)27(34)31-16-10-15-21(31)22(32)17-23-24(29-30-35-23)19-11-6-4-7-12-19;1-17(27-2)25(32)29-23(19-12-7-4-8-13-19)21(31)16-28-26-30-24-20(14-9-15-22(24)33-26)18-10-5-3-6-11-18/h5,7-8,12-13,18-19,22,24-25H,4,6,9-11,14-17H2,1-3H3,(H,30,33)(H,31,34);4,6-7,11-12,17,19-20,22H,3,5,8-10,13-16H2,1-2H3,(H,29,33)(H,31,34)(H2,28,36,37);4,6-7,11-12,17-18,20-21,23H,3,5,8-10,13-16H2,1-2H3,(H,29,32)(H,30,33);4,6-7,11-12,18,20-21,25H,3,5,8-10,13-17H2,1-2H3,(H,28,33);3,5-6,9-11,14-15,17,19,23,27H,4,7-8,12-13,16H2,1-2H3,(H,28,30)(H,29,32)/t19-,24+,25+;17-,20+,22+;18-,21+,23+;18-,21+,25+;17-,23-/m11100/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide has a molecular weight of 2543.46 g/mol, XLogP of 23.15, 43 rotatable bonds, 11 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide is sourced from PubChem (CID 161340238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).