(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

C249H272Cl2N40O31 — CID 159908505

IUPAC(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)cc2)cc1.CC(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)C)cc2)cc1.CC1=NCC(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cc(C)no4)cc3)cc2)=C1.Cn1cnc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cn(C)cn4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)COc3cccc(Cl)c3)cc2)cc1)[C@@H]1CCCN1C(=O)COc1cccc(Cl)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccn3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccn1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cnc[nH]3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C40H38Cl2N4O6.C38H38N6O4.C37H40N6O5.C35H38N8O4.C34H44N4O4.C33H34N8O4.C32H40N4O4/c41-29-5-1-7-33(23-29)51-25-37(47)45-21-3-9-35(45)39(49)43-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)44-40(50)36-10-4-22-46(36)38(48)26-52-34-8-2-6-30(42)24-34;45-35(25-31-7-1-3-21-39-31)43-23-5-9-33(43)37(47)41-29-17-13-27(14-18-29)11-12-28-15-19-30(20-16-28)42-38(48)34-10-6-24-44(34)36(46)26-32-8-2-4-22-40-32;1-24-19-28(23-38-24)21-34(44)42-17-3-5-32(42)36(46)39-29-13-9-26(10-14-29)7-8-27-11-15-30(16-12-27)40-37(47)33-6-4-18-43(33)35(45)22-31-20-25(2)41-48-31;1-40-20-28(36-22-40)19-32(44)42-17-3-5-30(42)33(45)38-26-13-9-24(10-14-26)7-8-25-11-15-27(16-12-25)39-34(46)31-6-4-18-43(31)35(47)29-21-41(2)23-37-29;1-23(2)21-31(39)37-19-5-7-29(37)33(41)35-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)36-34(42)30-8-6-20-38(30)32(40)22-24(3)4;42-30(17-26-18-34-20-36-26)40-15-1-3-28(40)31(43)38-24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)39-32(44)29-4-2-16-41(29)33(45)27-19-35-21-37-27;1-21(2)31(39)35-19-5-7-27(35)29(37)33-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)34-30(38)28-8-6-20-36(28)32(40)22(3)4/h1-2,5-8,11-20,23-24,35-36H,3-4,9-10,21-22,25-26H2,(H,43,49)(H,44,50);1-4,7-8,11-22,33-34H,5-6,9-10,23-26H2,(H,41,47)(H,42,48);7-16,19-20,32-33H,3-6,17-18,21-23H2,1-2H3,(H,39,46)(H,40,47);7-16,20-23,30-31H,3-6,17-19H2,1-2H3,(H,38,45)(H,39,46);9-18,23-24,29-30H,5-8,19-22H2,1-4H3,(H,35,41)(H,36,42);5-14,18-21,28-29H,1-4,15-17H2,(H,34,36)(H,35,37)(H,38,43)(H,39,44);9-18,21-22,27-28H,5-8,19-20H2,1-4H3,(H,33,37)(H,34,38)/b2*12-11+;2*8-7+;10-9+;6-5+;10-9+/t35-,36-;33-,34-;32-,33-;30-,31-;29-,30-;28-,29-;27-,28-/m0000000/s1
InChIKeyNWWNAPSJDLJSLM-HVCCSHFJSA-N
MW4392.07 g/mol
LogP35.51
Rot. Bonds68

About (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide

(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 159908505) has the molecular formula C249H272Cl2N40O31 and a molecular weight of 4392.07 g/mol. Its IUPAC name is (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID159908505
Molecular FormulaC249H272Cl2N40O31
Molecular Weight4392.07 g/mol
Exact Mass4388.03
IUPAC Name(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)cc2)cc1.CC(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)C)cc2)cc1.CC1=NCC(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cc(C)no4)cc3)cc2)=C1.Cn1cnc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cn(C)cn4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)COc3cccc(Cl)c3)cc2)cc1)[C@@H]1CCCN1C(=O)COc1cccc(Cl)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccn3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccn1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cnc[nH]3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1cnc[nH]1
InChIInChI=1S/C40H38Cl2N4O6.C38H38N6O4.C37H40N6O5.C35H38N8O4.C34H44N4O4.C33H34N8O4.C32H40N4O4/c41-29-5-1-7-33(23-29)51-25-37(47)45-21-3-9-35(45)39(49)43-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)44-40(50)36-10-4-22-46(36)38(48)26-52-34-8-2-6-30(42)24-34;45-35(25-31-7-1-3-21-39-31)43-23-5-9-33(43)37(47)41-29-17-13-27(14-18-29)11-12-28-15-19-30(20-16-28)42-38(48)34-10-6-24-44(34)36(46)26-32-8-2-4-22-40-32;1-24-19-28(23-38-24)21-34(44)42-17-3-5-32(42)36(46)39-29-13-9-26(10-14-29)7-8-27-11-15-30(16-12-27)40-37(47)33-6-4-18-43(33)35(45)22-31-20-25(2)41-48-31;1-40-20-28(36-22-40)19-32(44)42-17-3-5-30(42)33(45)38-26-13-9-24(10-14-26)7-8-25-11-15-27(16-12-25)39-34(46)31-6-4-18-43(31)35(47)29-21-41(2)23-37-29;1-23(2)21-31(39)37-19-5-7-29(37)33(41)35-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)36-34(42)30-8-6-20-38(30)32(40)22-24(3)4;42-30(17-26-18-34-20-36-26)40-15-1-3-28(40)31(43)38-24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)39-32(44)29-4-2-16-41(29)33(45)27-19-35-21-37-27;1-21(2)31(39)35-19-5-7-27(35)29(37)33-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)34-30(38)28-8-6-20-36(28)32(40)22(3)4/h1-2,5-8,11-20,23-24,35-36H,3-4,9-10,21-22,25-26H2,(H,43,49)(H,44,50);1-4,7-8,11-22,33-34H,5-6,9-10,23-26H2,(H,41,47)(H,42,48);7-16,19-20,32-33H,3-6,17-18,21-23H2,1-2H3,(H,39,46)(H,40,47);7-16,20-23,30-31H,3-6,17-19H2,1-2H3,(H,38,45)(H,39,46);9-18,23-24,29-30H,5-8,19-22H2,1-4H3,(H,35,41)(H,36,42);5-14,18-21,28-29H,1-4,15-17H2,(H,34,36)(H,35,37)(H,38,43)(H,39,44);9-18,21-22,27-28H,5-8,19-20H2,1-4H3,(H,33,37)(H,34,38)/b2*12-11+;2*8-7+;10-9+;6-5+;10-9+/t35-,36-;33-,34-;32-,33-;30-,31-;29-,30-;28-,29-;27-,28-/m0000000/s1
InChIKeyNWWNAPSJDLJSLM-HVCCSHFJSA-N
XLogP35.51
TPSA867.37 Ų
H-Bond Donors16
H-Bond Acceptors41
Rotatable Bonds68
Heavy Atoms322
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004392.07
LogP ≤ 535.51
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1041

Analyze (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide with MolForge

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What is the IUPAC name of (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide (CID 159908505) is (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)C(C)C)cc2)cc1.CC(C)CC(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)CC(C)C)cc2)cc1.CC1=NCC(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)Cc4cc(C)no4)cc3)cc2)=C1.Cn1cnc(CC(=O)N2CCC[C@H]2C(=O)Nc2ccc(/C=C/c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cn(C)cn4)cc3)cc2)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)COc3cccc(Cl)c3)cc2)cc1)[C@@H]1CCCN1C(=O)COc1cccc(Cl)c1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)Cc3ccccn3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1ccccn1.O=C(Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3cnc[nH]3)cc2)cc1)[C@@H]1CCCN1C(=O)Cc1cnc[nH]1.
What is the InChIKey of (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is NWWNAPSJDLJSLM-HVCCSHFJSA-N. The full InChI is InChI=1S/C40H38Cl2N4O6.C38H38N6O4.C37H40N6O5.C35H38N8O4.C34H44N4O4.C33H34N8O4.C32H40N4O4/c41-29-5-1-7-33(23-29)51-25-37(47)45-21-3-9-35(45)39(49)43-31-17-13-27(14-18-31)11-12-28-15-19-32(20-16-28)44-40(50)36-10-4-22-46(36)38(48)26-52-34-8-2-6-30(42)24-34;45-35(25-31-7-1-3-21-39-31)43-23-5-9-33(43)37(47)41-29-17-13-27(14-18-29)11-12-28-15-19-30(20-16-28)42-38(48)34-10-6-24-44(34)36(46)26-32-8-2-4-22-40-32;1-24-19-28(23-38-24)21-34(44)42-17-3-5-32(42)36(46)39-29-13-9-26(10-14-29)7-8-27-11-15-30(16-12-27)40-37(47)33-6-4-18-43(33)35(45)22-31-20-25(2)41-48-31;1-40-20-28(36-22-40)19-32(44)42-17-3-5-30(42)33(45)38-26-13-9-24(10-14-26)7-8-25-11-15-27(16-12-25)39-34(46)31-6-4-18-43(31)35(47)29-21-41(2)23-37-29;1-23(2)21-31(39)37-19-5-7-29(37)33(41)35-27-15-11-25(12-16-27)9-10-26-13-17-28(18-14-26)36-34(42)30-8-6-20-38(30)32(40)22-24(3)4;42-30(17-26-18-34-20-36-26)40-15-1-3-28(40)31(43)38-24-11-7-22(8-12-24)5-6-23-9-13-25(14-10-23)39-32(44)29-4-2-16-41(29)33(45)27-19-35-21-37-27;1-21(2)31(39)35-19-5-7-27(35)29(37)33-25-15-11-23(12-16-25)9-10-24-13-17-26(18-14-24)34-30(38)28-8-6-20-36(28)32(40)22(3)4/h1-2,5-8,11-20,23-24,35-36H,3-4,9-10,21-22,25-26H2,(H,43,49)(H,44,50);1-4,7-8,11-22,33-34H,5-6,9-10,23-26H2,(H,41,47)(H,42,48);7-16,19-20,32-33H,3-6,17-18,21-23H2,1-2H3,(H,39,46)(H,40,47);7-16,20-23,30-31H,3-6,17-19H2,1-2H3,(H,38,45)(H,39,46);9-18,23-24,29-30H,5-8,19-22H2,1-4H3,(H,35,41)(H,36,42);5-14,18-21,28-29H,1-4,15-17H2,(H,34,36)(H,35,37)(H,38,43)(H,39,44);9-18,21-22,27-28H,5-8,19-20H2,1-4H3,(H,33,37)(H,34,38)/b2*12-11+;2*8-7+;10-9+;6-5+;10-9+/t35-,36-;33-,34-;32-,33-;30-,31-;29-,30-;28-,29-;27-,28-/m0000000/s1.
What are the key properties of (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide?
(2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 4392.07 g/mol, XLogP of 35.51, 68 rotatable bonds, 16 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-chlorophenoxy)acetyl]-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-chlorophenoxy)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1H-imidazole-5-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1H-imidazol-5-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(3-methylbutanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(3-methylbutanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-(1-methylimidazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(1-methylimidazol-4-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-N-[4-[(E)-2-[4-[[(2S)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]-1-[2-(5-methyl-2H-pyrrol-3-yl)acetyl]pyrrolidine-2-carboxamide;(2S)-1-(2-methylpropanoyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide;(2S)-1-(2-pyridin-2-ylacetyl)-N-[4-[(E)-2-[4-[[(2S)-1-(2-pyridin-2-ylacetyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 159908505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).