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

C128H143ClN28O11 — CID 167625572

IUPAC4-[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
SMILESCC(=O)N(Cc1ccccc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.CC(=O)N(Cc1cccnc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccc(Cl)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4Oc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21
InChIInChI=1S/C35H36N6O3.C32H37N7O3.C31H36N8O3.C30H34ClN7O2/c1-40-31-19-17-25(20-30(31)38-39-40)22-37-34(42)32-21-26(28-14-8-9-15-33(28)44-27-12-6-3-7-13-27)23-41(32)35(43)29(36)18-16-24-10-4-2-5-11-24;1-22(40)38(20-24-11-7-4-8-12-24)26-18-30(31(41)34-19-25-14-16-29-28(17-25)35-36-37(29)2)39(21-26)32(42)27(33)15-13-23-9-5-3-6-10-23;1-21(40)38(19-24-9-6-14-33-17-24)25-16-29(30(41)34-18-23-11-13-28-27(15-23)35-36-37(28)2)39(20-25)31(42)26(32)12-10-22-7-4-3-5-8-22;1-37-27-14-10-22(15-26(27)35-36-37)18-34-29(39)28-16-24(33-17-21-7-11-23(31)12-8-21)19-38(28)30(40)25(32)13-9-20-5-3-2-4-6-20/h2-15,17,19-20,26,29,32H,16,18,21-23,36H2,1H3,(H,37,42);3-12,14,16-17,26-27,30H,13,15,18-21,33H2,1-2H3,(H,34,41);3-9,11,13-15,17,25-26,29H,10,12,16,18-20,32H2,1-2H3,(H,34,41);2-8,10-12,14-15,24-25,28,33H,9,13,16-19,32H2,1H3,(H,34,39)
InChIKeyNAZLTNGZQUXPIW-UHFFFAOYSA-N
MW2285.19 g/mol
LogP12.20
Rot. Bonds40

About 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

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 (PubChem CID 167625572) has the molecular formula C128H143ClN28O11 and a molecular weight of 2285.19 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID167625572
Molecular FormulaC128H143ClN28O11
Molecular Weight2285.19 g/mol
Exact Mass2283.12
IUPAC Name4-[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
SMILESCC(=O)N(Cc1ccccc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.CC(=O)N(Cc1cccnc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccc(Cl)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4Oc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21
InChIInChI=1S/C35H36N6O3.C32H37N7O3.C31H36N8O3.C30H34ClN7O2/c1-40-31-19-17-25(20-30(31)38-39-40)22-37-34(42)32-21-26(28-14-8-9-15-33(28)44-27-12-6-3-7-13-27)23-41(32)35(43)29(36)18-16-24-10-4-2-5-11-24;1-22(40)38(20-24-11-7-4-8-12-24)26-18-30(31(41)34-19-25-14-16-29-28(17-25)35-36-37(29)2)39(21-26)32(42)27(33)15-13-23-9-5-3-6-10-23;1-21(40)38(19-24-9-6-14-33-17-24)25-16-29(30(41)34-18-23-11-13-28-27(15-23)35-36-37(28)2)39(20-25)31(42)26(32)12-10-22-7-4-3-5-8-22;1-37-27-14-10-22(15-26(27)35-36-37)18-34-29(39)28-16-24(33-17-21-7-11-23(31)12-8-21)19-38(28)30(40)25(32)13-9-20-5-3-2-4-6-20/h2-15,17,19-20,26,29,32H,16,18,21-23,36H2,1H3,(H,37,42);3-12,14,16-17,26-27,30H,13,15,18-21,33H2,1-2H3,(H,34,41);3-9,11,13-15,17,25-26,29H,10,12,16,18-20,32H2,1-2H3,(H,34,41);2-8,10-12,14-15,24-25,28,33H,9,13,16-19,32H2,1H3,(H,34,39)
InChIKeyNAZLTNGZQUXPIW-UHFFFAOYSA-N
XLogP12.20
TPSA499.33 Ų
H-Bond Donors9
H-Bond Acceptors29
Rotatable Bonds40
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002285.19
LogP ≤ 512.20
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1029

Analyze 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 with MolForge

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Related Compounds

4-[acetyl(pyridin-3-ylmethyl)amino]-1-(2-amino-4-phenylbutanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163331
(2S,4S)-1-[(2R)-2-amino-4-phenylbutanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(3-phenylpropylamino)pyrrolidine-2-carboxamide
CID 165163663
(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
(2S,4R)-1-[(2R)-2-amino-4-phenylbutanoyl]-4-(3,4-difluorophenyl)-4-hydroxy-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163353
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-phenylpyrrolidine-2-carboxamide
CID 163882391
(2R)-2-amino-1-[(2S,4R)-2-[3-(1-methylbenzotriazol-5-yl)propanoyl]-4-phenoxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 167554594
(2S,4S)-1-[(2S)-2-methanimidoyl-4-phenylbutanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(methylcarbamoylamino)pyrrolidine-2-carboxamide
CID 139553992
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
1-[2-amino-5-(2-methylpiperidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide
CID 139553572
4-acetamido-1-(2-amino-4-phenylbutanoyl)-N-[(2-amino-4-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 163447079
N-[[4-(aminomethyl)phenyl]methyl]-1-[(2S)-2-amino-4-phenylbutanoyl]-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 139554264

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(Cc1ccccc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.CC(=O)N(Cc1cccnc1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCc2ccccc2)C1.Cn1nnc2cc(CNC(=O)C3CC(NCc4ccc(Cl)cc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(c4ccccc4Oc4ccccc4)CN3C(=O)C(N)CCc3ccccc3)ccc21.
What is the InChIKey of 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?
The InChIKey is NAZLTNGZQUXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N6O3.C32H37N7O3.C31H36N8O3.C30H34ClN7O2/c1-40-31-19-17-25(20-30(31)38-39-40)22-37-34(42)32-21-26(28-14-8-9-15-33(28)44-27-12-6-3-7-13-27)23-41(32)35(43)29(36)18-16-24-10-4-2-5-11-24;1-22(40)38(20-24-11-7-4-8-12-24)26-18-30(31(41)34-19-25-14-16-29-28(17-25)35-36-37(29)2)39(21-26)32(42)27(33)15-13-23-9-5-3-6-10-23;1-21(40)38(19-24-9-6-14-33-17-24)25-16-29(30(41)34-18-23-11-13-28-27(15-23)35-36-37(28)2)39(20-25)31(42)26(32)12-10-22-7-4-3-5-8-22;1-37-27-14-10-22(15-26(27)35-36-37)18-34-29(39)28-16-24(33-17-21-7-11-23(31)12-8-21)19-38(28)30(40)25(32)13-9-20-5-3-2-4-6-20/h2-15,17,19-20,26,29,32H,16,18,21-23,36H2,1H3,(H,37,42);3-12,14,16-17,26-27,30H,13,15,18-21,33H2,1-2H3,(H,34,41);3-9,11,13-15,17,25-26,29H,10,12,16,18-20,32H2,1-2H3,(H,34,41);2-8,10-12,14-15,24-25,28,33H,9,13,16-19,32H2,1H3,(H,34,39).
What are the key properties of 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?
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 has a molecular weight of 2285.19 g/mol, XLogP of 12.20, 40 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167625572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).