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

C155H193F4N35O19 — CID 167587620

IUPAC1-[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
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cccnc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C(C)CCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCC(F)C3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C#N)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cnccc4C(F)(F)F)CN3)C2)cc1.[H][H]
InChIInChI=1S/C32H34F3N7O3.C32H43N7O4.C31H38N8O4.C30H38FN7O4.C30H38N6O4.H2/c1-41-28-8-5-20(12-26(28)39-40-41)15-38-30(43)29-13-21(11-19-3-6-23(45-2)7-4-19)18-42(29)31(44)27-14-22(16-37-27)24-17-36-10-9-25(24)32(33,34)35;1-20-5-6-21(2)39(20)30(40)14-12-26(33)32(42)38-19-24(15-22-7-10-25(43-4)11-8-22)17-29(38)31(41)34-18-23-9-13-28-27(16-23)35-36-37(28)3;1-37-27-11-7-21(15-26(27)35-36-37)18-34-30(41)28-16-22(14-20-5-8-24(43-2)9-6-20)19-39(28)31(42)25(33)10-12-29(40)38-13-3-4-23(38)17-32;1-36-26-9-5-20(14-25(26)34-35-36)16-33-29(40)27-15-21(13-19-3-6-23(42-2)7-4-19)17-38(27)30(41)24(32)8-10-28(39)37-12-11-22(31)18-37;1-40-24-8-6-20(7-9-24)15-21-16-26(29(38)33-18-23-17-22-5-4-12-32-28(22)34-23)36(19-21)30(39)25(31)10-11-27(37)35-13-2-3-14-35;/h3-10,12,17,21-22,27,29,37H,11,13-16,18H2,1-2H3,(H,38,43);7-11,13,16,20-21,24,26,29H,5-6,12,14-15,17-19,33H2,1-4H3,(H,34,41);5-9,11,15,22-23,25,28H,3-4,10,12-14,16,18-19,33H2,1-2H3,(H,34,41);3-7,9,14,21-22,24,27H,8,10-13,15-18,32H2,1-2H3,(H,33,40);4-9,12,17,21,25-26H,2-3,10-11,13-16,18-19,31H2,1H3,(H,32,34)(H,33,38);1H
InChIKeyHZSVJEGZOBCJMQ-UHFFFAOYSA-N
MW2926.47 g/mol
LogP12.20
Rot. Bonds48

About 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

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 (PubChem CID 167587620) has the molecular formula C155H193F4N35O19 and a molecular weight of 2926.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID167587620
Molecular FormulaC155H193F4N35O19
Molecular Weight2926.47 g/mol
Exact Mass2924.51
IUPAC Name1-[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
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cccnc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C(C)CCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCC(F)C3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C#N)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cnccc4C(F)(F)F)CN3)C2)cc1.[H][H]
InChIInChI=1S/C32H34F3N7O3.C32H43N7O4.C31H38N8O4.C30H38FN7O4.C30H38N6O4.H2/c1-41-28-8-5-20(12-26(28)39-40-41)15-38-30(43)29-13-21(11-19-3-6-23(45-2)7-4-19)18-42(29)31(44)27-14-22(16-37-27)24-17-36-10-9-25(24)32(33,34)35;1-20-5-6-21(2)39(20)30(40)14-12-26(33)32(42)38-19-24(15-22-7-10-25(43-4)11-8-22)17-29(38)31(41)34-18-23-9-13-28-27(16-23)35-36-37(28)3;1-37-27-11-7-21(15-26(27)35-36-37)18-34-30(41)28-16-22(14-20-5-8-24(43-2)9-6-20)19-39(28)31(42)25(33)10-12-29(40)38-13-3-4-23(38)17-32;1-36-26-9-5-20(14-25(26)34-35-36)16-33-29(40)27-15-21(13-19-3-6-23(42-2)7-4-19)17-38(27)30(41)24(32)8-10-28(39)37-12-11-22(31)18-37;1-40-24-8-6-20(7-9-24)15-21-16-26(29(38)33-18-23-17-22-5-4-12-32-28(22)34-23)36(19-21)30(39)25(31)10-11-27(37)35-13-2-3-14-35;/h3-10,12,17,21-22,27,29,37H,11,13-16,18H2,1-2H3,(H,38,43);7-11,13,16,20-21,24,26,29H,5-6,12,14-15,17-19,33H2,1-4H3,(H,34,41);5-9,11,15,22-23,25,28H,3-4,10,12-14,16,18-19,33H2,1-2H3,(H,34,41);3-7,9,14,21-22,24,27H,8,10-13,15-18,32H2,1-2H3,(H,33,40);4-9,12,17,21,25-26H,2-3,10-11,13-16,18-19,31H2,1H3,(H,32,34)(H,33,38);1H
InChIKeyHZSVJEGZOBCJMQ-UHFFFAOYSA-N
XLogP12.20
TPSA678.75 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds48
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002926.47
LogP ≤ 512.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

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
1-[2-amino-5-(2,5-dimethylpyrrolidin-1-yl)-5-oxopentanoyl]-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 153347143
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
(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-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-cyanophenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553289
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 139553291
(2S,4R)-1-[(2R)-2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(3-pyridin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 139554208
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)-4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 167175979
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 165163428
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(CC2CC(C(=O)NCc3cc4cccnc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3C(C)CCC3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCC(F)C3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C(N)CCC(=O)N3CCCC3C#N)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4cnccc4C(F)(F)F)CN3)C2)cc1.[H][H].
What is the InChIKey of 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?
The InChIKey is HZSVJEGZOBCJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F3N7O3.C32H43N7O4.C31H38N8O4.C30H38FN7O4.C30H38N6O4.H2/c1-41-28-8-5-20(12-26(28)39-40-41)15-38-30(43)29-13-21(11-19-3-6-23(45-2)7-4-19)18-42(29)31(44)27-14-22(16-37-27)24-17-36-10-9-25(24)32(33,34)35;1-20-5-6-21(2)39(20)30(40)14-12-26(33)32(42)38-19-24(15-22-7-10-25(43-4)11-8-22)17-29(38)31(41)34-18-23-9-13-28-27(16-23)35-36-37(28)3;1-37-27-11-7-21(15-26(27)35-36-37)18-34-30(41)28-16-22(14-20-5-8-24(43-2)9-6-20)19-39(28)31(42)25(33)10-12-29(40)38-13-3-4-23(38)17-32;1-36-26-9-5-20(14-25(26)34-35-36)16-33-29(40)27-15-21(13-19-3-6-23(42-2)7-4-19)17-38(27)30(41)24(32)8-10-28(39)37-12-11-22(31)18-37;1-40-24-8-6-20(7-9-24)15-21-16-26(29(38)33-18-23-17-22-5-4-12-32-28(22)34-23)36(19-21)30(39)25(31)10-11-27(37)35-13-2-3-14-35;/h3-10,12,17,21-22,27,29,37H,11,13-16,18H2,1-2H3,(H,38,43);7-11,13,16,20-21,24,26,29H,5-6,12,14-15,17-19,33H2,1-4H3,(H,34,41);5-9,11,15,22-23,25,28H,3-4,10,12-14,16,18-19,33H2,1-2H3,(H,34,41);3-7,9,14,21-22,24,27H,8,10-13,15-18,32H2,1-2H3,(H,33,40);4-9,12,17,21,25-26H,2-3,10-11,13-16,18-19,31H2,1H3,(H,32,34)(H,33,38);1H.
What are the key properties of 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?
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 has a molecular weight of 2926.47 g/mol, XLogP of 12.20, 48 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167587620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).