(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

C111H152ClN21O15S6 — CID 159940832

IUPAC(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
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H42N4O3S.C28H37ClN6O4S.C27H37N5O5S2.C26H36N6O3S2/c1-19(2)25-18-23(21-12-7-5-8-13-21)29(38-25)33-28(36)24-16-11-17-34(24)30(37)26(22-14-9-6-10-15-22)32-27(35)20(3)31-4;1-16(30-3)24(37)32-23(18-9-5-4-6-10-18)27(39)35-14-8-13-21(35)25(38)34-26-22(19-11-7-12-20(29)15-19)33-28(40-26)31-17(2)36;1-17(28-2)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(3,36)37;1-16(27-4)22(33)28-20(18-13-9-6-10-14-18)25(35)32-15-36-26(2,3)21(32)23(34)29-24-19(30-31-37-24)17-11-7-5-8-12-17/h5,7-8,12-13,18-20,22,24,26,31H,6,9-11,14-17H2,1-4H3,(H,32,35)(H,33,36);7,11-12,15-16,18,21,23,30H,4-6,8-10,13-14H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);4,6-7,11-12,17,19-20,22,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,31,34);5,7-8,11-12,16,18,20-21,27H,6,9-10,13-15H2,1-4H3,(H,28,33)(H,29,34)/t20-,24-,26-;16-,21-,23-;17-,20-,22-;16-,20-,21+/m0000/s1
InChIKeyOAVWQOHAXUQSPP-SHDJNERVSA-N
MW2248.42 g/mol
LogP15.48
Rot. Bonds35

About (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

(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 (PubChem CID 159940832) has the molecular formula C111H152ClN21O15S6 and a molecular weight of 2248.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID159940832
Molecular FormulaC111H152ClN21O15S6
Molecular Weight2248.42 g/mol
Exact Mass2245.98
IUPAC Name(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
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H42N4O3S.C28H37ClN6O4S.C27H37N5O5S2.C26H36N6O3S2/c1-19(2)25-18-23(21-12-7-5-8-13-21)29(38-25)33-28(36)24-16-11-17-34(24)30(37)26(22-14-9-6-10-15-22)32-27(35)20(3)31-4;1-16(30-3)24(37)32-23(18-9-5-4-6-10-18)27(39)35-14-8-13-21(35)25(38)34-26-22(19-11-7-12-20(29)15-19)33-28(40-26)31-17(2)36;1-17(28-2)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(3,36)37;1-16(27-4)22(33)28-20(18-13-9-6-10-14-18)25(35)32-15-36-26(2,3)21(32)23(34)29-24-19(30-31-37-24)17-11-7-5-8-12-17/h5,7-8,12-13,18-20,22,24,26,31H,6,9-11,14-17H2,1-4H3,(H,32,35)(H,33,36);7,11-12,15-16,18,21,23,30H,4-6,8-10,13-14H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);4,6-7,11-12,17,19-20,22,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,31,34);5,7-8,11-12,16,18,20-21,27H,6,9-10,13-15H2,1-4H3,(H,28,33)(H,29,34)/t20-,24-,26-;16-,21-,23-;17-,20-,22-;16-,20-,21+/m0000/s1
InChIKeyOAVWQOHAXUQSPP-SHDJNERVSA-N
XLogP15.48
TPSA476.96 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds35
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002248.42
LogP ≤ 515.48
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

Analyze (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 with MolForge

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Related Compounds

(2S)-N-(5-chloro-3-phenylthiophen-2-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2R)-3-methyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-sulfanylbutanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157128001
(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-(5-chloro-3-phenylthiophen-2-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-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)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157969752
(2S)-N-[2-[bis(methylsulfonyl)amino]-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)propanoyl]amino]acetyl]-N-(2-imidazol-1-yl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[[(4-phenylthiadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
CID 158194476
(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)-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-[bis(methylsulfonyl)amino]-4-phenyl-1,3-thiazol-5-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-(2-imidazol-1-yl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-methyl-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[[(4-phenylthiadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide
CID 160133060
(2S)-N-[2-[bis(methylsulfonyl)amino]-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)propanoyl]amino]acetyl]-N-(2-imidazol-1-yl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-[[(4-phenylthiadiazol-5-yl)amino]methyl]pyrrolidin-1-yl]ethyl]-2-(methylamino)propanamide
CID 160320022

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-[[(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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(C(C)C)cc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(NC(C)=O)nc1-c1cccc(Cl)c1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sc(S(C)(=O)=O)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CSC(C)(C)[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (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?
The InChIKey is OAVWQOHAXUQSPP-SHDJNERVSA-N. The full InChI is InChI=1S/C30H42N4O3S.C28H37ClN6O4S.C27H37N5O5S2.C26H36N6O3S2/c1-19(2)25-18-23(21-12-7-5-8-13-21)29(38-25)33-28(36)24-16-11-17-34(24)30(37)26(22-14-9-6-10-15-22)32-27(35)20(3)31-4;1-16(30-3)24(37)32-23(18-9-5-4-6-10-18)27(39)35-14-8-13-21(35)25(38)34-26-22(19-11-7-12-20(29)15-19)33-28(40-26)31-17(2)36;1-17(28-2)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(3,36)37;1-16(27-4)22(33)28-20(18-13-9-6-10-14-18)25(35)32-15-36-26(2,3)21(32)23(34)29-24-19(30-31-37-24)17-11-7-5-8-12-17/h5,7-8,12-13,18-20,22,24,26,31H,6,9-11,14-17H2,1-4H3,(H,32,35)(H,33,36);7,11-12,15-16,18,21,23,30H,4-6,8-10,13-14H2,1-3H3,(H,32,37)(H,34,38)(H,31,33,36);4,6-7,11-12,17,19-20,22,28H,5,8-10,13-16H2,1-3H3,(H,29,33)(H,31,34);5,7-8,11-12,16,18,20-21,27H,6,9-10,13-15H2,1-4H3,(H,28,33)(H,29,34)/t20-,24-,26-;16-,21-,23-;17-,20-,22-;16-,20-,21+/m0000/s1.
What are the key properties of (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?
(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 has a molecular weight of 2248.42 g/mol, XLogP of 15.48, 35 rotatable bonds, 13 hydrogen bond donors, and 28 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-[[(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 is sourced from PubChem (CID 159940832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).