(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide

C116H157ClN16O15S6 — CID 161007536

IUPAC(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C31H43N3O3S.C29H38ClN5O4S.C28H38N4O5S2.C28H38N4O3S2/c1-5-21(4)28(35)32-27(23-15-10-7-11-16-23)31(37)34-18-12-17-25(34)29(36)33-30-24(19-26(38-30)20(2)3)22-13-8-6-9-14-22;1-4-17(2)25(37)32-24(19-10-6-5-7-11-19)28(39)35-15-9-14-22(35)26(38)34-27-23(20-12-8-13-21(30)16-20)33-29(40-27)31-18(3)36;1-4-18(2)24(33)29-23(20-14-9-6-10-15-20)27(35)32-17-11-16-21(32)25(34)31-26-22(19-12-7-5-8-13-19)30-28(38-26)39(3,36)37;1-5-18(2)26(34)29-24(20-14-10-7-11-15-20)27(35)32-17-36-28(3,4)25(32)21(33)16-22-23(30-31-37-22)19-12-8-6-9-13-19/h6,8-9,13-14,19-21,23,25,27H,5,7,10-12,15-18H2,1-4H3,(H,32,35)(H,33,36);8,12-13,16-17,19,22,24H,4-7,9-11,14-15H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);5,7-8,12-13,18,20-21,23H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,31,34);6,8-9,12-13,18,20,24-25H,5,7,10-11,14-17H2,1-4H3,(H,29,34)/t21-,25+,27+;17-,22+,24+;18-,21+,23+;18-,24+,25-/m1111/s1
InChIKeyTWRWLWKCOCUBCA-RUWXFMRPSA-N
MW2243.48 g/mol
LogP21.40
Rot. Bonds36

About (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide

(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide (PubChem CID 161007536) has the molecular formula C116H157ClN16O15S6 and a molecular weight of 2243.48 g/mol. Its IUPAC name is (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide
PubChem CID161007536
Molecular FormulaC116H157ClN16O15S6
Molecular Weight2243.48 g/mol
Exact Mass2241.00
IUPAC Name(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C31H43N3O3S.C29H38ClN5O4S.C28H38N4O5S2.C28H38N4O3S2/c1-5-21(4)28(35)32-27(23-15-10-7-11-16-23)31(37)34-18-12-17-25(34)29(36)33-30-24(19-26(38-30)20(2)3)22-13-8-6-9-14-22;1-4-17(2)25(37)32-24(19-10-6-5-7-11-19)28(39)35-15-9-14-22(35)26(38)34-27-23(20-12-8-13-21(30)16-20)33-29(40-27)31-18(3)36;1-4-18(2)24(33)29-23(20-14-9-6-10-15-20)27(35)32-17-11-16-21(32)25(34)31-26-22(19-12-7-5-8-13-19)30-28(38-26)39(3,36)37;1-5-18(2)26(34)29-24(20-14-10-7-11-15-20)27(35)32-17-36-28(3,4)25(32)21(33)16-22-23(30-31-37-22)19-12-8-6-9-13-19/h6,8-9,13-14,19-21,23,25,27H,5,7,10-12,15-18H2,1-4H3,(H,32,35)(H,33,36);8,12-13,16-17,19,22,24H,4-7,9-11,14-15H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);5,7-8,12-13,18,20-21,23H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,31,34);6,8-9,12-13,18,20,24-25H,5,7,10-11,14-17H2,1-4H3,(H,29,34)/t21-,25+,27+;17-,22+,24+;18-,21+,23+;18-,24+,25-/m1111/s1
InChIKeyTWRWLWKCOCUBCA-RUWXFMRPSA-N
XLogP21.40
TPSA416.81 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.48
LogP ≤ 521.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(3-phenylpropylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157230495
(4R)-3-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5,5-dimethyl-N-(4-phenylthiadiazol-5-yl)-1,3-thiazolidine-4-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide;[5-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-phenyl-1,3-thiazol-2-yl]-hydroxy-methylsulfanium
CID 157864889
(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(4R)-3-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5,5-dimethyl-N-(4-phenylthiadiazol-5-yl)-1,3-thiazolidine-4-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 159026440
(2S)-N-[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(1R)-2-[(2S)-2-cyclohexyl-2-[(2-methyl-6-phenylhexanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)cyclopentane-1-carboxamide;(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3R)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 159223418
(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
CID 159493422
(2S)-N-[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[(2-methyl-6-phenylhexanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3R)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 159839869
(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(4R)-3-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-5,5-dimethyl-N-(4-phenylthiadiazol-5-yl)-1,3-thiazolidine-4-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide
CID 159940832
(2S)-1-[(2S)-2-[[(2S)-2-aminobutanoyl]amino]-2-cyclohexylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-(2-benzamido-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)butanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylthiophen-3-yl)pyrrolidine-2-carboxamide
CID 160098601
(2S)-N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-(2-acetamido-5-phenyl-1,3-thiazol-4-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,2,5-thiadiazol-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenylthiadiazol-4-yl)pyrrolidine-2-carboxamide
CID 160421688
(2S)-N-(2-acetamido-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-(2-acetamido-5-phenyl-1,3-thiazol-4-yl)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,2,5-thiadiazol-3-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-phenylthiadiazol-4-yl)pyrrolidine-2-carboxamide
CID 161135008
(2S)-N-[2-amino-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(3-phenylpropylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3R)-3-hydroxy-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3R)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S,3S)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]pentanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 161160515
(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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide (CID 161007536) is (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Cc1snnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is TWRWLWKCOCUBCA-RUWXFMRPSA-N. The full InChI is InChI=1S/C31H43N3O3S.C29H38ClN5O4S.C28H38N4O5S2.C28H38N4O3S2/c1-5-21(4)28(35)32-27(23-15-10-7-11-16-23)31(37)34-18-12-17-25(34)29(36)33-30-24(19-26(38-30)20(2)3)22-13-8-6-9-14-22;1-4-17(2)25(37)32-24(19-10-6-5-7-11-19)28(39)35-15-9-14-22(35)26(38)34-27-23(20-12-8-13-21(30)16-20)33-29(40-27)31-18(3)36;1-4-18(2)24(33)29-23(20-14-9-6-10-15-20)27(35)32-17-11-16-21(32)25(34)31-26-22(19-12-7-5-8-13-19)30-28(38-26)39(3,36)37;1-5-18(2)26(34)29-24(20-14-10-7-11-15-20)27(35)32-17-36-28(3,4)25(32)21(33)16-22-23(30-31-37-22)19-12-8-6-9-13-19/h6,8-9,13-14,19-21,23,25,27H,5,7,10-12,15-18H2,1-4H3,(H,32,35)(H,33,36);8,12-13,16-17,19,22,24H,4-7,9-11,14-15H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);5,7-8,12-13,18,20-21,23H,4,6,9-11,14-17H2,1-3H3,(H,29,33)(H,31,34);6,8-9,12-13,18,20,24-25H,5,7,10-11,14-17H2,1-4H3,(H,29,34)/t21-,25+,27+;17-,22+,24+;18-,21+,23+;18-,24+,25-/m1111/s1.
What are the key properties of (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide?
(2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 2243.48 g/mol, XLogP of 21.40, 36 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-acetamido-4-(3-chlorophenyl)-1,3-thiazol-5-yl]-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(4R)-5,5-dimethyl-4-[2-(4-phenylthiadiazol-5-yl)acetyl]-1,3-thiazolidin-3-yl]-2-oxoethyl]-2-methylbutanamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfonyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(3-phenyl-5-propan-2-ylthiophen-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 161007536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).