N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)

C206H242N46O26S4 — CID 157095418

IUPACN-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2coc3c(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)cn(C)c23)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1n1cc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)nn1)C(C)C
InChIInChI=1S/2C43H47N9O5S.C42H52N8O6.C40H49N9O5S.C38H47N11O5S/c2*1-25(2)38(49-37(55)24-53)41(56)52-18-8-12-35(52)40-45-21-32(47-40)27-13-15-28(16-14-27)36-23-50-22-33(48-43(50)58-36)31-19-30(20-44-31)34-11-7-17-51(34)42(57)39(46-26(3)54)29-9-5-4-6-10-29;1-23(2)36(45-25(5)52)41(54)49-15-7-9-33(49)31-17-28(18-43-31)30-22-56-39-29(20-48(6)38(30)39)26-11-13-27(14-12-26)32-19-44-40(46-32)34-10-8-16-50(34)42(55)37(24(3)4)47-35(53)21-51;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)27-16-28(41-17-27)30-19-47-20-33(55-40(47)45-30)26-12-10-25(11-13-26)29-18-42-37(44-29)32-9-7-15-49(32)39(54)36(23(3)4)46-34(52)21-50;1-21(2)33(40-23(5)51)37(54)48-15-7-9-32(48)49-18-28(44-45-49)27-17-46-19-30(55-38(46)42-27)25-12-10-24(11-13-25)26-16-39-35(41-26)29-8-6-14-47(29)36(53)34(22(3)4)43-31(52)20-50/h2*4-6,9-10,13-16,20-23,25,34-35,38-39,53H,7-8,11-12,17-19,24H2,1-3H3,(H,45,47)(H,46,54)(H,49,55);11-14,18-20,22-24,33-34,36-37,51H,7-10,15-17,21H2,1-6H3,(H,44,46)(H,45,52)(H,47,53);10-13,17-20,22-23,31-32,35-36,50H,6-9,14-16,21H2,1-5H3,(H,42,44)(H,43,51)(H,46,52);10-13,16-19,21-22,29,32-34,50H,6-9,14-15,20H2,1-5H3,(H,39,41)(H,40,51)(H,43,52)/t2*34?,35-,38-,39+;33?,34?,36-,37-;31?,32-,35-,36-;29-,32?,33-,34-/m00000/s1
InChIKeyAFDQPPNMRBYTMN-FZRWHAIDSA-N
MW3906.77 g/mol
LogP23.62
Rot. Bonds60

About N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)

N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) (PubChem CID 157095418) has the molecular formula C206H242N46O26S4 and a molecular weight of 3906.77 g/mol. Its IUPAC name is N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide).

Molecular Properties

Compound NameN-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)
PubChem CID157095418
Molecular FormulaC206H242N46O26S4
Molecular Weight3906.77 g/mol
Exact Mass3903.79
IUPAC NameN-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2coc3c(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)cn(C)c23)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1n1cc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)nn1)C(C)C
InChIInChI=1S/2C43H47N9O5S.C42H52N8O6.C40H49N9O5S.C38H47N11O5S/c2*1-25(2)38(49-37(55)24-53)41(56)52-18-8-12-35(52)40-45-21-32(47-40)27-13-15-28(16-14-27)36-23-50-22-33(48-43(50)58-36)31-19-30(20-44-31)34-11-7-17-51(34)42(57)39(46-26(3)54)29-9-5-4-6-10-29;1-23(2)36(45-25(5)52)41(54)49-15-7-9-33(49)31-17-28(18-43-31)30-22-56-39-29(20-48(6)38(30)39)26-11-13-27(14-12-26)32-19-44-40(46-32)34-10-8-16-50(34)42(55)37(24(3)4)47-35(53)21-51;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)27-16-28(41-17-27)30-19-47-20-33(55-40(47)45-30)26-12-10-25(11-13-26)29-18-42-37(44-29)32-9-7-15-49(32)39(54)36(23(3)4)46-34(52)21-50;1-21(2)33(40-23(5)51)37(54)48-15-7-9-32(48)49-18-28(44-45-49)27-17-46-19-30(55-38(46)42-27)25-12-10-24(11-13-25)26-16-39-35(41-26)29-8-6-14-47(29)36(53)34(22(3)4)43-31(52)20-50/h2*4-6,9-10,13-16,20-23,25,34-35,38-39,53H,7-8,11-12,17-19,24H2,1-3H3,(H,45,47)(H,46,54)(H,49,55);11-14,18-20,22-24,33-34,36-37,51H,7-10,15-17,21H2,1-6H3,(H,44,46)(H,45,52)(H,47,53);10-13,17-20,22-23,31-32,35-36,50H,6-9,14-16,21H2,1-5H3,(H,42,44)(H,43,51)(H,46,52);10-13,16-19,21-22,29,32-34,50H,6-9,14-15,20H2,1-5H3,(H,39,41)(H,40,51)(H,43,52)/t2*34?,35-,38-,39+;33?,34?,36-,37-;31?,32-,35-,36-;29-,32?,33-,34-/m00000/s1
InChIKeyAFDQPPNMRBYTMN-FZRWHAIDSA-N
XLogP23.62
TPSA906.07 Ų
H-Bond Donors20
H-Bond Acceptors51
Rotatable Bonds60
Heavy Atoms282
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003906.77
LogP ≤ 523.62
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1051

Analyze N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) with MolForge

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Related Compounds

N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(2-phenylimidazo[2,1-b][1,3]thiazol-6-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide;N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[2-(6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)acetyl]pyrrolidin-1-yl]butan-2-yl]acetamide
CID 158410817
N-[(1R)-2-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]thieno[3,2-b]thiophen-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide
CID 58310457
N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]thieno[3,2-b]thiophen-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide
CID 58310044
N-[(2S)-1-[2-[5-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]thieno[3,2-b]thiophen-6-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;(2S)-1-acetyl-N-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidine-2-carboxamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]imidazo[2,1-b][1,3]thiazol-6-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[(2S)-2-[[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 162163702
methyl N-[(2S)-1-[2-[4-[6-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;bis(triphenylphosphane)
CID 123785369
N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide
CID 58310159
1-[2-[4-[4-[2-[4-[2-[(2S)-1-acetylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
CID 58310353
methyl N-[(2S)-1-[2-[4-[4-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58490320
(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]-N-[6-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[2,3-b]pyrrol-3-yl]pyrrolidine-2-carboxamide;N-[(2S)-1-[(2S)-2-[5-[1-[6-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]pyrrol-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[2-[6-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]-1,3-thiazol-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[5-[6-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]thiophen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[2-[5-[4-[3-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]thieno[2,3-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide
CID 158404421
methyl N-[(2S)-1-[2-[4-[6-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58310207
N-[(2S)-3-methyl-1-oxo-1-[2-[4-[6-[4-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]acetamide
CID 147218237
methyl N-[(2S)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58490898

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)?
The IUPAC name of N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) (CID 157095418) is N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide).
What is the SMILES notation for N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)?
The canonical SMILES for N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) is CC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=CN=C(c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=C(c2coc3c(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)cn(C)c23)C1)C(C)C.CC(=O)N[C@H](C(=O)N1CCCC1n1cc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)nn1)C(C)C.
What is the InChIKey of N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)?
The InChIKey is AFDQPPNMRBYTMN-FZRWHAIDSA-N. The full InChI is InChI=1S/2C43H47N9O5S.C42H52N8O6.C40H49N9O5S.C38H47N11O5S/c2*1-25(2)38(49-37(55)24-53)41(56)52-18-8-12-35(52)40-45-21-32(47-40)27-13-15-28(16-14-27)36-23-50-22-33(48-43(50)58-36)31-19-30(20-44-31)34-11-7-17-51(34)42(57)39(46-26(3)54)29-9-5-4-6-10-29;1-23(2)36(45-25(5)52)41(54)49-15-7-9-33(49)31-17-28(18-43-31)30-22-56-39-29(20-48(6)38(30)39)26-11-13-27(14-12-26)32-19-44-40(46-32)34-10-8-16-50(34)42(55)37(24(3)4)47-35(53)21-51;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)27-16-28(41-17-27)30-19-47-20-33(55-40(47)45-30)26-12-10-25(11-13-26)29-18-42-37(44-29)32-9-7-15-49(32)39(54)36(23(3)4)46-34(52)21-50;1-21(2)33(40-23(5)51)37(54)48-15-7-9-32(48)49-18-28(44-45-49)27-17-46-19-30(55-38(46)42-27)25-12-10-24(11-13-25)26-16-39-35(41-26)29-8-6-14-47(29)36(53)34(22(3)4)43-31(52)20-50/h2*4-6,9-10,13-16,20-23,25,34-35,38-39,53H,7-8,11-12,17-19,24H2,1-3H3,(H,45,47)(H,46,54)(H,49,55);11-14,18-20,22-24,33-34,36-37,51H,7-10,15-17,21H2,1-6H3,(H,44,46)(H,45,52)(H,47,53);10-13,17-20,22-23,31-32,35-36,50H,6-9,14-16,21H2,1-5H3,(H,42,44)(H,43,51)(H,46,52);10-13,16-19,21-22,29,32-34,50H,6-9,14-15,20H2,1-5H3,(H,39,41)(H,40,51)(H,43,52)/t2*34?,35-,38-,39+;33?,34?,36-,37-;31?,32-,35-,36-;29-,32?,33-,34-/m00000/s1.
What are the key properties of N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide)?
N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) has a molecular weight of 3906.77 g/mol, XLogP of 23.62, 60 rotatable bonds, 20 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[2-[5-[4-[3-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]-4-methylfuro[3,2-b]pyrrol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(2S)-1-[(2S)-2-[5-[4-[6-[1-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]triazol-4-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;bis(N-[(2S)-1-[(2S)-2-[5-[4-[6-[4-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-2-yl]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide) is sourced from PubChem (CID 157095418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).