(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide

C111H149N23O12S3 — CID 158992644

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cnccn2)sc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sccc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H37N7O3S.C28H40N6O3.C27H36N4O3S.C26H36N6O3S/c1-19(31-2)27(38)34-24(20-10-5-3-6-11-20)30(40)37-17-9-14-23(37)28(39)35-26-25(21-12-7-4-8-13-21)41-29(36-26)22-18-32-15-16-33-22;1-19(29-2)26(35)30-25(21-14-9-6-10-15-21)28(37)34-17-11-16-22(34)27(36)33(4)23-18-32(3)31-24(23)20-12-7-5-8-13-20;1-18(28-2)24(32)29-23(20-12-7-4-8-13-20)27(34)31-16-9-14-22(31)25(33)30-26-21(15-17-35-26)19-10-5-3-6-11-19;1-17(27-2)23(33)28-21(18-11-6-4-7-12-18)25(35)32-16-10-15-20(32)24(34)31(3)26-22(29-30-36-26)19-13-8-5-9-14-19/h4,7-8,12-13,15-16,18-20,23-24,31H,3,5-6,9-11,14,17H2,1-2H3,(H,34,38)(H,35,39);5,7-8,12-13,18-19,21-22,25,29H,6,9-11,14-17H2,1-4H3,(H,30,35);3,5-6,10-11,15,17-18,20,22-23,28H,4,7-9,12-14,16H2,1-2H3,(H,29,32)(H,30,33);5,8-9,13-14,17-18,20-21,27H,4,6-7,10-12,15-16H2,1-3H3,(H,28,33)/t19-,23-,24-;19-,22-,25-;18-,22-,23-;17-,20-,21-/m0000/s1
InChIKeyJQIVQXXVBFTTQJ-WDSURUSKSA-N
MW2093.76 g/mol
LogP13.43
Rot. Bonds33

About (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide (PubChem CID 158992644) has the molecular formula C111H149N23O12S3 and a molecular weight of 2093.76 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
PubChem CID158992644
Molecular FormulaC111H149N23O12S3
Molecular Weight2093.76 g/mol
Exact Mass2092.09
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide
SMILESCN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cnccn2)sc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sccc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C30H37N7O3S.C28H40N6O3.C27H36N4O3S.C26H36N6O3S/c1-19(31-2)27(38)34-24(20-10-5-3-6-11-20)30(40)37-17-9-14-23(37)28(39)35-26-25(21-12-7-4-8-13-21)41-29(36-26)22-18-32-15-16-33-22;1-19(29-2)26(35)30-25(21-14-9-6-10-15-21)28(37)34-17-11-16-22(34)27(36)33(4)23-18-32(3)31-24(23)20-12-7-5-8-13-20;1-18(28-2)24(32)29-23(20-12-7-4-8-13-20)27(34)31-16-9-14-22(31)25(33)30-26-21(15-17-35-26)19-10-5-3-6-11-19;1-17(27-2)23(33)28-21(18-11-6-4-7-12-18)25(35)32-16-10-15-20(32)24(34)31(3)26-22(29-30-36-26)19-13-8-5-9-14-19/h4,7-8,12-13,15-16,18-20,23-24,31H,3,5-6,9-11,14,17H2,1-2H3,(H,34,38)(H,35,39);5,7-8,12-13,18-19,21-22,25,29H,6,9-11,14-17H2,1-4H3,(H,30,35);3,5-6,10-11,15,17-18,20,22-23,28H,4,7-9,12-14,16H2,1-2H3,(H,29,32)(H,30,33);5,8-9,13-14,17-18,20-21,27H,4,6-7,10-12,15-16H2,1-3H3,(H,28,33)/t19-,23-,24-;19-,22-,25-;18-,22-,23-;17-,20-,21-/m0000/s1
InChIKeyJQIVQXXVBFTTQJ-WDSURUSKSA-N
XLogP13.43
TPSA426.85 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds33
Heavy Atoms149
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002093.76
LogP ≤ 513.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

5-[2-[[5-(1,1-difluoroethyl)-1,3-thiazol-2-yl]amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[2-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;5-[2-[(4-ethyl-1,3-thiazol-2-yl)amino]-2-oxoacetyl]-N-(4-fluoro-3-methylphenyl)-1,2,4-trimethylpyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-(2-piperidin-1-ylethylamino)acetyl]pyrrole-3-carboxamide;N-(4-fluoro-3-methylphenyl)-1,2,4-trimethyl-5-[2-oxo-2-[(1-propylpyrazol-3-yl)amino]acetyl]pyrrole-3-carboxamide
CID 161959510
N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
CID 87613183
1-benzyl-5-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)hexyl]pyrrolidin-2-one;2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyrazin-2-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(2-pyridin-4-ylethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(pyridin-2-ylmethyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-(3-pyridin-4-ylpropyl)acetamide;2-(1-benzyl-5-oxopyrrolidin-2-yl)-2-oxo-N-[3-(1,3-thiazol-2-yl)propyl]acetamide
CID 157072014
CID 157201371
CID 157201371
(2S)-N-(4-amino-5-phenyl-1,3-thiazol-2-yl)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-methylbutanoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide;bis((2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(2-phenylpyrazol-3-yl)pyrrolidine-2-carboxamide)
CID 157201852
(2S)-N-(2-tert-butylsulfanyl-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-(4-phenyl-2-pyridin-3-yl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-pyridin-4-yl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(3-phenylbutylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157277761
(2S)-1-[(2S)-2-cyclohexyl-2-[(5-hydroxy-2-methylpentanoyl)amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[2-(2-fluorophenyl)pyrazol-3-yl]pyrrolidine-2-carboxamide;(2S)-N-[(2S,3S)-1-[(2S)-2-[4-(4-fluoronaphthalen-1-yl)-1,3-thiazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]-2-(methylamino)propanamide;(2S)-1-[(2S)-2-[[(2R)-2-methylbutanoyl]amino]-2-thiophen-3-ylacetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-3-methyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157400000
3-(1-butylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;3-(1-cycloheptylindazol-5-yl)-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide;bis(2,2-dimethyl-3-phenyl-3-(1-pyridin-3-ylindazol-5-yl)-N-(1,3-thiazol-2-yl)propanamide)
CID 157438328
CID 157503772
CID 157503772
(3R,9aR)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(3R,9aS)-6-[[(2S)-2-(methylamino)propanoyl]amino]-N-(5-methyl-2-phenylpyrazol-3-yl)-5-oxo-3,6,7,8,9,9a-hexahydro-2H-[1,3]thiazolo[3,2-a]azepine-3-carboxamide;(2S)-N-(2-amino-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-N-(2-amino-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-[2-(2,2-dimethylpropanoylamino)-4-phenyl-1,3-thiazol-5-yl]pyrrolidine-2-carboxamide
CID 157673548
N-(4-acetamidophenyl)-1-cyclohexyl-3-methylthieno[3,2-d]pyrazole-5-carboxamide;1-cyclohexyl-N-[4-(dimethylcarbamoyl)phenyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide;1-cyclohexyl-3-methyl-N-[4-(methylcarbamoyl)phenyl]thieno[3,2-d]pyrazole-5-carboxamide;1-cyclohexyl-3-methyl-N-[6-(2-oxoimidazolidin-1-yl)-3-pyridinyl]thieno[3,2-d]pyrazole-5-carboxamide
CID 157799002
(6S)-2-amino-3,6-dimethyl-6-[2-(5-prop-1-ynyl-3-pyridinyl)-1,3-thiazol-5-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[3-(3-ethynylphenyl)-1-methylpyrazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(3-ethynylphenyl)-1-methylpyrazol-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[1-(3-ethynylphenyl)pyrazol-4-yl]-3,5,6-trimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-3,5,6-trimethyl-6-[5-methyl-4-(5-prop-1-ynyl-3-pyridinyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 157858412

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide (CID 158992644) is (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide is CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1cn(C)nc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N(C)c1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1nc(-c2cnccn2)sc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1sccc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JQIVQXXVBFTTQJ-WDSURUSKSA-N. The full InChI is InChI=1S/C30H37N7O3S.C28H40N6O3.C27H36N4O3S.C26H36N6O3S/c1-19(31-2)27(38)34-24(20-10-5-3-6-11-20)30(40)37-17-9-14-23(37)28(39)35-26-25(21-12-7-4-8-13-21)41-29(36-26)22-18-32-15-16-33-22;1-19(29-2)26(35)30-25(21-14-9-6-10-15-21)28(37)34-17-11-16-22(34)27(36)33(4)23-18-32(3)31-24(23)20-12-7-5-8-13-20;1-18(28-2)24(32)29-23(20-12-7-4-8-13-20)27(34)31-16-9-14-22(31)25(33)30-26-21(15-17-35-26)19-10-5-3-6-11-19;1-17(27-2)23(33)28-21(18-11-6-4-7-12-18)25(35)32-16-10-15-20(32)24(34)31(3)26-22(29-30-36-26)19-13-8-5-9-14-19/h4,7-8,12-13,15-16,18-20,23-24,31H,3,5-6,9-11,14,17H2,1-2H3,(H,34,38)(H,35,39);5,7-8,12-13,18-19,21-22,25,29H,6,9-11,14-17H2,1-4H3,(H,30,35);3,5-6,10-11,15,17-18,20,22-23,28H,4,7-9,12-14,16H2,1-2H3,(H,29,32)(H,30,33);5,8-9,13-14,17-18,20-21,27H,4,6-7,10-12,15-16H2,1-3H3,(H,28,33)/t19-,23-,24-;19-,22-,25-;18-,22-,23-;17-,20-,21-/m0000/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 2093.76 g/mol, XLogP of 13.43, 33 rotatable bonds, 10 hydrogen bond donors, and 26 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-methyl-N-(1-methyl-3-phenylpyrazol-4-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)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-phenyl-2-pyrazin-2-yl-1,3-thiazol-4-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 158992644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).