N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C130H163ClF3N23O14 — CID 167561970

IUPACN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.COc1cc(CNC(=O)C2CC(c3ccccc3)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCc3ccccc3)ccc21.NCc1ccc(CNC(=O)C2CC(Cc3ccc(Cl)cc3)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)cn1.[H][H].[H][H]
InChIInChI=1S/C30H35ClN4O2.C30H36N4O3.C24H27F3N6O2.C24H32N4O4.C22H29N5O3.2H2/c31-26-13-10-22(11-14-26)16-25-17-28(29(36)34-19-24-8-6-23(18-32)7-9-24)35(20-25)30(37)27(33)15-12-21-4-2-1-3-5-21;1-37-28-16-22(12-14-24(28)18-31)19-33-29(35)27-17-25(23-10-6-3-7-11-23)20-34(27)30(36)26(32)15-13-21-8-4-2-5-9-21;1-32-20-10-8-16(11-19(20)30-31-32)13-29-22(34)21-12-17(24(25,26)27)14-33(21)23(35)18(28)9-7-15-5-3-2-4-6-15;1-32-22-11-17(7-9-18(22)13-25)14-27-23(30)21-12-19(29)15-28(21)24(31)20(26)10-8-16-5-3-2-4-6-16;23-11-17-8-6-16(12-25-17)13-26-21(29)20-10-18(28)14-27(20)22(30)19(24)9-7-15-4-2-1-3-5-15;;/h1-11,13-14,25,27-28H,12,15-20,32-33H2,(H,34,36);2-12,14,16,25-27H,13,15,17-20,31-32H2,1H3,(H,33,35);2-6,8,10-11,17-18,21H,7,9,12-14,28H2,1H3,(H,29,34);2-7,9,11,19-21,29H,8,10,12-15,25-26H2,1H3,(H,27,30);1-6,8,12,18-20,28H,7,9-11,13-14,23-24H2,(H,26,29);2*1H
InChIKeyDTWYEDICSLQEQE-UHFFFAOYSA-N
MW2364.33 g/mol
LogP10.54
Rot. Bonds44

About N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen

N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167561970) has the molecular formula C130H163ClF3N23O14 and a molecular weight of 2364.33 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167561970
Molecular FormulaC130H163ClF3N23O14
Molecular Weight2364.33 g/mol
Exact Mass2362.24
IUPAC NameN-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1cc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.COc1cc(CNC(=O)C2CC(c3ccccc3)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCc3ccccc3)ccc21.NCc1ccc(CNC(=O)C2CC(Cc3ccc(Cl)cc3)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)cn1.[H][H].[H][H]
InChIInChI=1S/C30H35ClN4O2.C30H36N4O3.C24H27F3N6O2.C24H32N4O4.C22H29N5O3.2H2/c31-26-13-10-22(11-14-26)16-25-17-28(29(36)34-19-24-8-6-23(18-32)7-9-24)35(20-25)30(37)27(33)15-12-21-4-2-1-3-5-21;1-37-28-16-22(12-14-24(28)18-31)19-33-29(35)27-17-25(23-10-6-3-7-11-23)20-34(27)30(36)26(32)15-13-21-8-4-2-5-9-21;1-32-20-10-8-16(11-19(20)30-31-32)13-29-22(34)21-12-17(24(25,26)27)14-33(21)23(35)18(28)9-7-15-5-3-2-4-6-15;1-32-22-11-17(7-9-18(22)13-25)14-27-23(30)21-12-19(29)15-28(21)24(31)20(26)10-8-16-5-3-2-4-6-16;23-11-17-8-6-16(12-25-17)13-26-21(29)20-10-18(28)14-27(20)22(30)19(24)9-7-15-4-2-1-3-5-15;;/h1-11,13-14,25,27-28H,12,15-20,32-33H2,(H,34,36);2-12,14,16,25-27H,13,15,17-20,31-32H2,1H3,(H,33,35);2-6,8,10-11,17-18,21H,7,9,12-14,28H2,1H3,(H,29,34);2-7,9,11,19-21,29H,8,10,12-15,25-26H2,1H3,(H,27,30);1-6,8,12,18-20,28H,7,9-11,13-14,23-24H2,(H,26,29);2*1H
InChIKeyDTWYEDICSLQEQE-UHFFFAOYSA-N
XLogP10.54
TPSA583.75 Ų
H-Bond Donors16
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002364.33
LogP ≤ 510.54
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1027

Analyze N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-methoxy-4-pyridinyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;methane
CID 167535909
1-[2-amino-5-(2-azabicyclo[3.1.0]hexan-2-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(2,5-dihydropyrrol-1-yl)-5-oxopentanoyl]-N-[[4-(aminomethyl)phenyl]methyl]pyrrolidine-2-carboxamide;1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-[2-amino-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoyl]pyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-pyridin-3-ylbutanoyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenoxypyrrolidine-2-carboxamide
CID 167557581
4-[(2,4-difluorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(2-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-methylphenyl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;molecular hydrogen
CID 167592085
2-amino-1-[2-[3-[4-(aminomethyl)phenyl]propanoyl]-4-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-4-phenylbutan-1-one;2-amino-1-[2-[3-(1-methylbenzotriazol-5-yl)propanoyl]-4-(trifluoromethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide
CID 167595954
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-methoxy-4-pyridinyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 167646776
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
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;1-[2-(2,2-difluoroethylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen
CID 167711288
4-[acetyl(benzyl)amino]-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[acetyl(pyridin-3-ylmethyl)amino]-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(2-phenoxyphenyl)pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide
CID 167597107
4-[acetyl(benzyl)amino]-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[acetyl(pyridin-3-ylmethyl)amino]-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methylamino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 167625572
4-[(3-fluoro-4-methoxyphenyl)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-phenoxypyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-3-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-4-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 167641672
4-[(2,4-dichlorophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;1-[4-(2-fluorophenyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-methoxyphenyl)pyrrolidine-2-carbonyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-methylpyrazol-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-phenylpiperidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 167695740

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 167561970) is N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen is COc1cc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.COc1cc(CNC(=O)C2CC(c3ccccc3)CN2C(=O)C(N)CCc2ccccc2)ccc1CN.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCc3ccccc3)ccc21.NCc1ccc(CNC(=O)C2CC(Cc3ccc(Cl)cc3)CN2C(=O)C(N)CCc2ccccc2)cc1.NCc1ccc(CNC(=O)C2CC(O)CN2C(=O)C(N)CCc2ccccc2)cn1.[H][H].[H][H].
What is the InChIKey of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is DTWYEDICSLQEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN4O2.C30H36N4O3.C24H27F3N6O2.C24H32N4O4.C22H29N5O3.2H2/c31-26-13-10-22(11-14-26)16-25-17-28(29(36)34-19-24-8-6-23(18-32)7-9-24)35(20-25)30(37)27(33)15-12-21-4-2-1-3-5-21;1-37-28-16-22(12-14-24(28)18-31)19-33-29(35)27-17-25(23-10-6-3-7-11-23)20-34(27)30(36)26(32)15-13-21-8-4-2-5-9-21;1-32-20-10-8-16(11-19(20)30-31-32)13-29-22(34)21-12-17(24(25,26)27)14-33(21)23(35)18(28)9-7-15-5-3-2-4-6-15;1-32-22-11-17(7-9-18(22)13-25)14-27-23(30)21-12-19(29)15-28(21)24(31)20(26)10-8-16-5-3-2-4-6-16;23-11-17-8-6-16(12-25-17)13-26-21(29)20-10-18(28)14-27(20)22(30)19(24)9-7-15-4-2-1-3-5-15;;/h1-11,13-14,25,27-28H,12,15-20,32-33H2,(H,34,36);2-12,14,16,25-27H,13,15,17-20,31-32H2,1H3,(H,33,35);2-6,8,10-11,17-18,21H,7,9,12-14,28H2,1H3,(H,29,34);2-7,9,11,19-21,29H,8,10,12-15,25-26H2,1H3,(H,27,30);1-6,8,12,18-20,28H,7,9-11,13-14,23-24H2,(H,26,29);2*1H.
What are the key properties of N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2364.33 g/mol, XLogP of 10.54, 44 rotatable bonds, 16 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-phenylpyrrolidine-2-carboxamide;N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide;N-[[6-(aminomethyl)-3-pyridinyl]methyl]-1-(2-amino-4-phenylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide;1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167561970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).