1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

C144H171F8N35O14 — CID 167705384

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C30H37F3N8O3.C30H39N7O4.C30H33N7O2.C29H35F2N7O3.C25H27F3N6O2/c1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-27-8-7-21(14-25(27)34-35-36)17-33-29(38)28-15-22(13-20-9-11-31-12-10-20)19-37(28)30(39)26-16-24(18-32-26)23-5-3-2-4-6-23;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16/h4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);2-12,14,22,24,26,28,32H,13,15-19H2,1H3,(H,33,38);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35)
InChIKeyZAJKCJNAKBAZPZ-UHFFFAOYSA-N
MW2768.17 g/mol
LogP11.29
Rot. Bonds42

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (PubChem CID 167705384) has the molecular formula C144H171F8N35O14 and a molecular weight of 2768.17 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
PubChem CID167705384
Molecular FormulaC144H171F8N35O14
Molecular Weight2768.17 g/mol
Exact Mass2766.36
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21
InChIInChI=1S/C30H37F3N8O3.C30H39N7O4.C30H33N7O2.C29H35F2N7O3.C25H27F3N6O2/c1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-27-8-7-21(14-25(27)34-35-36)17-33-29(38)28-15-22(13-20-9-11-31-12-10-20)19-37(28)30(39)26-16-24(18-32-26)23-5-3-2-4-6-23;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16/h4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);2-12,14,22,24,26,28,32H,13,15-19H2,1H3,(H,33,38);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35)
InChIKeyZAJKCJNAKBAZPZ-UHFFFAOYSA-N
XLogP11.29
TPSA584.67 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds42
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002768.17
LogP ≤ 511.29
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(8R,11S,14R,17S,20S,24S,26S,29S,32S,38S,41S)-8-acetamido-11-(4-aminobutyl)-24-fluoro-17,20-bis[(5-fluoro-1H-indol-3-yl)methyl]-29-[(1S)-1-hydroxyethyl]-32-[(4-methoxyphenyl)methyl]-14,38-dimethyl-9,12,15,18,21,27,30,33,39-nonaoxo-2,3,4,10,13,16,19,22,28,31,34,40-dodecazapentacyclo[41.2.2.12,5.022,26.034,38]octatetraconta-1(46),3,5(48),43(47),44-pentaene-41-carboxamide
CID 159868238
4-[(4-methoxyphenyl)methyl]-N-[(1-methyl-6,7-dihydrobenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)pyridin-3-yl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553302
N-[[1-[[2-[5-[4-[(4-bromophenyl)methyl]-2-[(1-methylbenzotriazol-5-yl)methylcarbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-3-yl]phenyl]methyl]benzotriazol-5-yl]methyl]-4-[(4-methoxyphenyl)methyl]-1-[4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553416
1-[4-(4-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553422
4-[(4-methoxyphenyl)methyl]-N-[(1-methyl-6,7-dihydrobenzotriazol-5-yl)methyl]-1-[4-[4-(trifluoromethyl)pyridin-3-yl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553582
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[4-(trifluoromethyl)pyridin-3-yl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 153347134
(2S)-2-acetamido-3-(5-fluoro-1H-indol-3-yl)-N-[[(18S,24S,27S,30S,36S)-41-fluoro-24-[(4-methoxyphenyl)methyl]-18,27-dimethyl-17,23,26,29,35-pentaoxo-13-thia-1,4,5,6,16,22,25,28,34-nonazaheptacyclo[36.6.1.13,6.17,11.018,22.030,34.039,44]heptatetraconta-3(47),4,7,9,11(46),38(45),39(44),40,42-nonaen-36-yl]methyl]propanamide
CID 153379141
2-[(7R,10R,13S,16S,19S,22R,25S,31S,34S)-7-acetamido-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-25-[(4-methoxyphenyl)methyl]-10,31-dimethyl-8,11,14,17,20,23,26,32-octaoxo-22-(3H-pyrrol-4-ylmethyl)-2,3,4,9,12,15,18,24,27,33-decazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 157086137
2-[(11S,14R,17S,20S,23S,26R,29S,35S,38S)-11-(4-aminobutyl)-38-carbamoyl-17-[(5-fluoro-1H-indol-3-yl)methyl]-20-[(6-fluoro-1H-indol-3-yl)methyl]-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-26-(3H-pyrrol-4-ylmethyl)-2,3,4,10,13,16,19,22,28,31,37-undecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 157489903
2-[(9R,12S,15S,18S,21S,24R,27S,33S,36S)-9-acetamido-36-carbamoyl-15,18-bis[(5-fluoro-1H-indol-3-yl)methyl]-27-[(4-methoxyphenyl)methyl]-12,33-dimethyl-10,13,16,19,22,25,28,34-octaoxo-24-(3H-pyrrol-4-ylmethyl)-2,3,4,11,14,17,20,26,29,35-decazatetracyclo[36.2.2.12,5.029,33]tritetraconta-1(41),3,5(43),38(42),39-pentaen-21-yl]acetic acid
CID 158466471
2-[(7R,13S,16S,19S,22R,25S,31S,34S)-7-acetamido-34-carbamoyl-13,16-bis[(5-fluoro-1H-indol-3-yl)methyl]-25-[(4-methoxyphenyl)methyl]-31-methyl-8,11,14,17,20,23,26,32-octaoxo-22-(3H-pyrrol-4-ylmethyl)-2,3,4,9,12,15,18,24,27,33-decazatetracyclo[34.2.2.12,5.027,31]hentetraconta-1(39),3,5(41),36(40),37-pentaen-19-yl]acetic acid
CID 158850105
1-(1-Aminocyclohexyl)-5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-methylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-phenylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-(piperazin-1-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one;1-(1-aminocyclohexyl)-5-[5-[(4-propan-2-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]indol-1-yl]pentan-1-one
CID 159989841

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide (CID 167705384) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4cc(F)cc(F)c4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCC(F)(F)F)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
The InChIKey is ZAJKCJNAKBAZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F3N8O3.C30H39N7O4.C30H33N7O2.C29H35F2N7O3.C25H27F3N6O2/c1-39-25-6-4-21(15-24(25)37-38-39)17-35-28(43)26-16-22(14-20-8-10-34-11-9-20)18-41(26)29(44)23(36-19-30(31,32)33)5-7-27(42)40-12-2-3-13-40;1-35-26-11-7-21(16-25(26)33-34-35)18-32-29(39)27-17-22(15-20-5-8-23(41-2)9-6-20)19-37(27)30(40)24(31)10-12-28(38)36-13-3-4-14-36;1-36-27-8-7-21(14-25(27)34-35-36)17-33-29(38)28-15-22(13-20-9-11-31-12-10-20)19-37(28)30(39)26-16-24(18-32-26)23-5-3-2-4-6-23;1-36-25-6-4-18(13-24(25)34-35-36)16-33-28(40)26-14-20(10-19-11-21(30)15-22(31)12-19)17-38(26)29(41)23(32)5-7-27(39)37-8-2-3-9-37;1-33-21-8-7-15(9-19(21)31-32-33)12-30-23(35)22-11-18(25(26,27)28)14-34(22)24(36)20-10-17(13-29-20)16-5-3-2-4-6-16/h4,6,8-11,15,22-23,26,36H,2-3,5,7,12-14,16-19H2,1H3,(H,35,43);5-9,11,16,22,24,27H,3-4,10,12-15,17-19,31H2,1-2H3,(H,32,39);2-12,14,22,24,26,28,32H,13,15-19H2,1H3,(H,33,38);4,6,11-13,15,20,23,26H,2-3,5,7-10,14,16-17,32H2,1H3,(H,33,40);2-9,17-18,20,22,29H,10-14H2,1H3,(H,30,35).
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide has a molecular weight of 2768.17 g/mol, XLogP of 11.29, 42 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(3,5-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167705384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).