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

C143H181F6N35O17 — CID 167535909

IUPAC1-(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
SMILESC.COc1cc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)ccn1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCc3ccccc3)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(OC(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CCCN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C31H36N6O3.C30H36F3N7O4.C30H36F3N7O3.C29H38N8O4.C22H31N7O3.CH4/c1-36-28-15-11-23(17-27(28)34-35-36)19-33-30(38)29-18-24(16-22-8-12-25(40-2)13-9-22)20-37(29)31(39)26(32)14-10-21-6-4-3-5-7-21;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)44-30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;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;1-35-24-7-5-20(14-23(24)33-34-35)17-32-28(39)25-15-21(13-19-9-10-31-26(16-19)41-2)18-37(25)29(40)22(30)6-8-27(38)36-11-3-4-12-36;1-27-18-8-6-15(13-17(18)25-26-27)14-24-21(31)19-5-4-12-29(19)22(32)16(23)7-9-20(30)28-10-2-3-11-28;/h3-9,11-13,15,17,24,26,29H,10,14,16,18-20,32H2,1-2H3,(H,33,38);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);5,7,9-10,14,16,21-22,25H,3-4,6,8,11-13,15,17-18,30H2,1-2H3,(H,32,39);6,8,13,16,19H,2-5,7,9-12,14,23H2,1H3,(H,24,31);1H4
InChIKeyAOEVOKVWPDDOIP-UHFFFAOYSA-N
MW2776.24 g/mol
LogP10.60
Rot. Bonds46

About 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

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 (PubChem CID 167535909) has the molecular formula C143H181F6N35O17 and a molecular weight of 2776.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID167535909
Molecular FormulaC143H181F6N35O17
Molecular Weight2776.24 g/mol
Exact Mass2774.43
IUPAC Name1-(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
SMILESC.COc1cc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)ccn1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCc3ccccc3)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(OC(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CCCN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C31H36N6O3.C30H36F3N7O4.C30H36F3N7O3.C29H38N8O4.C22H31N7O3.CH4/c1-36-28-15-11-23(17-27(28)34-35-36)19-33-30(38)29-18-24(16-22-8-12-25(40-2)13-9-22)20-37(29)31(39)26(32)14-10-21-6-4-3-5-7-21;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)44-30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;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;1-35-24-7-5-20(14-23(24)33-34-35)17-32-28(39)25-15-21(13-19-9-10-31-26(16-19)41-2)18-37(25)29(40)22(30)6-8-27(38)36-11-3-4-12-36;1-27-18-8-6-15(13-17(18)25-26-27)14-24-21(31)19-5-4-12-29(19)22(32)16(23)7-9-20(30)28-10-2-3-11-28;/h3-9,11-13,15,17,24,26,29H,10,14,16,18-20,32H2,1-2H3,(H,33,38);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);5,7,9-10,14,16,21-22,25H,3-4,6,8,11-13,15,17-18,30H2,1-2H3,(H,32,39);6,8,13,16,19H,2-5,7,9-12,14,23H2,1H3,(H,24,31);1H4
InChIKeyAOEVOKVWPDDOIP-UHFFFAOYSA-N
XLogP10.60
TPSA652.52 Ų
H-Bond Donors10
H-Bond Acceptors38
Rotatable Bonds46
Heavy Atoms201
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002776.24
LogP ≤ 510.60
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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Related Compounds

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
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
N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-fluorophenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-methoxyphenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-(4-methylphenyl)indol-1-yl]acetamide;N-[2-[cyclohexyl(methyl)amino]ethyl]-2-[6-[4-(trifluoromethyl)phenyl]indol-1-yl]acetamide
CID 162073091
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 162613351
(2S,4R)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 165163425
1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 165163466
(2S,4R)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167175916
(2S,4R)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167175928
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167175933
(2S,4R)-1-[(2R)-4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 167175974
1-[2-amino-5-(3-azabicyclo[3.2.1]octan-8-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-[4-(2-fluoro-3-pyridinyl)pyrrolidine-2-carbonyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167547217

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COc1cc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)ccn1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCc3ccccc3)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(OC(F)(F)F)cc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CCCN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.
What is the InChIKey of 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?
The InChIKey is AOEVOKVWPDDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3.C30H36F3N7O4.C30H36F3N7O3.C29H38N8O4.C22H31N7O3.CH4/c1-36-28-15-11-23(17-27(28)34-35-36)19-33-30(38)29-18-24(16-22-8-12-25(40-2)13-9-22)20-37(29)31(39)26(32)14-10-21-6-4-3-5-7-21;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)44-30(31,32)33)18-40(26)29(43)23(34)9-11-27(41)39-12-2-3-13-39;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;1-35-24-7-5-20(14-23(24)33-34-35)17-32-28(39)25-15-21(13-19-9-10-31-26(16-19)41-2)18-37(25)29(40)22(30)6-8-27(38)36-11-3-4-12-36;1-27-18-8-6-15(13-17(18)25-26-27)14-24-21(31)19-5-4-12-29(19)22(32)16(23)7-9-20(30)28-10-2-3-11-28;/h3-9,11-13,15,17,24,26,29H,10,14,16,18-20,32H2,1-2H3,(H,33,38);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);4-8,10,15,21,23,26H,2-3,9,11-14,16-18,34H2,1H3,(H,35,42);5,7,9-10,14,16,21-22,25H,3-4,6,8,11-13,15,17-18,30H2,1-2H3,(H,32,39);6,8,13,16,19H,2-5,7,9-12,14,23H2,1H3,(H,24,31);1H4.
What are the key properties of 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?
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 has a molecular weight of 2776.24 g/mol, XLogP of 10.60, 46 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167535909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).