1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

C124H149F7N26O10 — CID 167661315

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(N4CCCCC4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H]
InChIInChI=1S/C32H33F3N6O2.C31H33FN6O2.C31H41N7O3.C30H36F3N7O3.3H2/c1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-36-28-11-8-22(15-26(28)34-35-36)18-33-30(39)29-16-23(14-21-6-9-25(41-2)10-7-21)20-38(29)31(40)27-17-24(19-32-27)37-12-4-3-5-13-37;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;;;/h2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);6-11,15,23-24,27,29,32H,3-5,12-14,16-20H2,1-2H3,(H,33,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);3*1H
InChIKeyRZOULVHOZLFKTO-UHFFFAOYSA-N
MW2296.71 g/mol
LogP13.34
Rot. Bonds31

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167661315) has the molecular formula C124H149F7N26O10 and a molecular weight of 2296.71 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167661315
Molecular FormulaC124H149F7N26O10
Molecular Weight2296.71 g/mol
Exact Mass2295.18
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(N4CCCCC4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H]
InChIInChI=1S/C32H33F3N6O2.C31H33FN6O2.C31H41N7O3.C30H36F3N7O3.3H2/c1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-36-28-11-8-22(15-26(28)34-35-36)18-33-30(39)29-16-23(14-21-6-9-25(41-2)10-7-21)20-38(29)31(40)27-17-24(19-32-27)37-12-4-3-5-13-37;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;;;/h2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);6-11,15,23-24,27,29,32H,3-5,12-14,16-20H2,1-2H3,(H,33,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);3*1H
InChIKeyRZOULVHOZLFKTO-UHFFFAOYSA-N
XLogP13.34
TPSA415.37 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002296.71
LogP ≤ 513.34
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1,3-dimethylindazol-5-yl)methyl]-4-[[4-(2-methylpyrazol-3-yl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(4-bromophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(4-methylphenyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 167671263
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163633
1-[2-amino-5-(2-cyanopyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 167587620
(2S,4R)-4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553977
N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 165163341
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide
CID 163882391
(2S,4R)-1-[(2R,4R)-4-ethylpyrrolidine-2-carbonyl]-4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139554196
(2S)-4-[(3,4-dimethoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R,4S)-4-phenylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163578
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163436
(2S,4R)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 165163614
1-[2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163646
(2S,4R)-1-[(2R)-2-amino-5-(2-methylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 167175911

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen (CID 167661315) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(N4CCCCC4)CN3)C2)cc1.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccc(C(F)(F)F)cc4)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccccc4F)CN3C(=O)C3CC(c4ccccc4)CN3)ccc21.[H][H].[H][H].[H][H].
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is RZOULVHOZLFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F3N6O2.C31H33FN6O2.C31H41N7O3.C30H36F3N7O3.3H2/c1-40-28-12-9-21(14-26(28)38-39-40)17-37-30(42)29-15-22(13-20-7-10-25(11-8-20)32(33,34)35)19-41(29)31(43)27-16-24(18-36-27)23-5-3-2-4-6-23;1-37-28-12-11-20(14-26(28)35-36-37)17-34-30(39)29-15-21(13-23-9-5-6-10-25(23)32)19-38(29)31(40)27-16-24(18-33-27)22-7-3-2-4-8-22;1-36-28-11-8-22(15-26(28)34-35-36)18-33-30(39)29-16-23(14-21-6-9-25(41-2)10-7-21)20-38(29)31(40)27-17-24(19-32-27)37-12-4-3-5-13-37;1-38-25-10-6-20(15-24(25)36-37-38)17-35-28(42)26-16-21(14-19-4-7-22(8-5-19)30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;;;/h2-12,14,22,24,27,29,36H,13,15-19H2,1H3,(H,37,42);2-12,14,21,24,27,29,33H,13,15-19H2,1H3,(H,34,39);6-11,15,23-24,27,29,32H,3-5,12-14,16-20H2,1-2H3,(H,33,39);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);3*1H.
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2296.71 g/mol, XLogP of 13.34, 31 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;4-[(2-fluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-piperidin-1-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167661315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).