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

C167H199N33O23S5 — CID 158410817

IUPACN-[(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
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=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)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)nc2s1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)sc2n1)C(C)C
InChIInChI=1S/C41H46N8O6S.C40H49N9O5S.C38H48N8O6S.2C24H28N4O3S/c1-24(2)36(46-35(53)23-50)39(54)49-18-8-12-32(49)38-42-20-30(45-38)26-13-15-27(16-14-26)34-22-47-21-29(44-41(47)56-34)19-33(52)31-11-7-17-48(31)40(55)37(43-25(3)51)28-9-5-4-6-10-28;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)28-16-27(17-41-28)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)48)36(51)45-14-6-8-28(45)30(49)16-26-18-44-19-31(53-38(44)41-26)25-12-10-24(11-13-25)27-17-39-35(42-27)29-9-7-15-46(29)37(52)34(22(3)4)43-32(50)20-47;1-15(2)22(25-16(3)29)23(31)28-11-7-10-20(28)21(30)12-18-13-27-14-19(26-24(27)32-18)17-8-5-4-6-9-17;1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,9-10,13-16,20-22,24,31-32,36-37,50H,7-8,11-12,17-19,23H2,1-3H3,(H,42,45)(H,43,51)(H,46,53);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);10-13,17-19,21-22,28-29,33-34,47H,6-9,14-16,20H2,1-5H3,(H,39,42)(H,40,48)(H,43,50);4-6,8-9,13-15,20,22H,7,10-12H2,1-3H3,(H,25,29);4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t31-,32-,36-,37+;31?,32-,35-,36-;28-,29-,33-,34-;20-,22-;19-,22-/m00000/s1
InChIKeyGZHCLXDVRWVRSE-ZFMFVKPFSA-N
MW3196.97 g/mol
LogP18.98
Rot. Bonds52

About 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

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 (PubChem CID 158410817) has the molecular formula C167H199N33O23S5 and a molecular weight of 3196.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158410817
Molecular FormulaC167H199N33O23S5
Molecular Weight3196.97 g/mol
Exact Mass3194.40
IUPAC NameN-[(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
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=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)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)nc2s1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)sc2n1)C(C)C
InChIInChI=1S/C41H46N8O6S.C40H49N9O5S.C38H48N8O6S.2C24H28N4O3S/c1-24(2)36(46-35(53)23-50)39(54)49-18-8-12-32(49)38-42-20-30(45-38)26-13-15-27(16-14-26)34-22-47-21-29(44-41(47)56-34)19-33(52)31-11-7-17-48(31)40(55)37(43-25(3)51)28-9-5-4-6-10-28;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)28-16-27(17-41-28)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)48)36(51)45-14-6-8-28(45)30(49)16-26-18-44-19-31(53-38(44)41-26)25-12-10-24(11-13-25)27-17-39-35(42-27)29-9-7-15-46(29)37(52)34(22(3)4)43-32(50)20-47;1-15(2)22(25-16(3)29)23(31)28-11-7-10-20(28)21(30)12-18-13-27-14-19(26-24(27)32-18)17-8-5-4-6-9-17;1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,9-10,13-16,20-22,24,31-32,36-37,50H,7-8,11-12,17-19,23H2,1-3H3,(H,42,45)(H,43,51)(H,46,53);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);10-13,17-19,21-22,28-29,33-34,47H,6-9,14-16,20H2,1-5H3,(H,39,42)(H,40,48)(H,43,50);4-6,8-9,13-15,20,22H,7,10-12H2,1-3H3,(H,25,29);4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t31-,32-,36-,37+;31?,32-,35-,36-;28-,29-,33-,34-;20-,22-;19-,22-/m00000/s1
InChIKeyGZHCLXDVRWVRSE-ZFMFVKPFSA-N
XLogP18.98
TPSA709.15 Ų
H-Bond Donors14
H-Bond Acceptors42
Rotatable Bonds52
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003196.97
LogP ≤ 518.98
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

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Related Compounds

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
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
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-[(1R)-2-[(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]-2-oxo-1-phenylethyl]acetamide;N-[(2S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-4H-cyclopenta[b]furan-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-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]-4-methylfuro[3,2-b]pyrrol-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-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-1,3-thiazol-5-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;propan-2-yl N-[(1R)-2-[2-[2-[2-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]acetyl]piperidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 158122928
(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
N-[(2S)-1-[(2S)-2-[5-[2-[6-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-2-oxoethyl]imidazo[2,1-b][1,3]thiazol-2-yl]ethynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide
CID 58310339
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
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
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
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
N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-6-oxo-1H-pyrimidin-4-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;N-[(1R)-2-[(2S)-2-[5-[4-[2-[2-[1-[(2R)-2-acetamido-2-phenylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]imidazo[2,1-b][1,3,4]thiadiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]-2-hydroxyacetamide;methyl N-[(1R)-2-[(2S)-2-[[2-[2-[4-[[(2S)-1-[(2R)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carbonyl]amino]phenyl]ethynyl]thieno[3,2-b]thiophen-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 159130531

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCCC1C1=NC=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)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)nc2s1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccccc3)sc2n1)C(C)C.
What is the InChIKey of 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?
The InChIKey is GZHCLXDVRWVRSE-ZFMFVKPFSA-N. The full InChI is InChI=1S/C41H46N8O6S.C40H49N9O5S.C38H48N8O6S.2C24H28N4O3S/c1-24(2)36(46-35(53)23-50)39(54)49-18-8-12-32(49)38-42-20-30(45-38)26-13-15-27(16-14-26)34-22-47-21-29(44-41(47)56-34)19-33(52)31-11-7-17-48(31)40(55)37(43-25(3)51)28-9-5-4-6-10-28;1-22(2)35(43-24(5)51)38(53)48-14-6-8-31(48)28-16-27(17-41-28)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)48)36(51)45-14-6-8-28(45)30(49)16-26-18-44-19-31(53-38(44)41-26)25-12-10-24(11-13-25)27-17-39-35(42-27)29-9-7-15-46(29)37(52)34(22(3)4)43-32(50)20-47;1-15(2)22(25-16(3)29)23(31)28-11-7-10-20(28)21(30)12-18-13-27-14-19(26-24(27)32-18)17-8-5-4-6-9-17;1-15(2)22(25-16(3)29)23(31)28-11-7-10-19(28)20(30)12-18-13-27-14-21(32-24(27)26-18)17-8-5-4-6-9-17/h4-6,9-10,13-16,20-22,24,31-32,36-37,50H,7-8,11-12,17-19,23H2,1-3H3,(H,42,45)(H,43,51)(H,46,53);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);10-13,17-19,21-22,28-29,33-34,47H,6-9,14-16,20H2,1-5H3,(H,39,42)(H,40,48)(H,43,50);4-6,8-9,13-15,20,22H,7,10-12H2,1-3H3,(H,25,29);4-6,8-9,13-15,19,22H,7,10-12H2,1-3H3,(H,25,29)/t31-,32-,36-,37+;31?,32-,35-,36-;28-,29-,33-,34-;20-,22-;19-,22-/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 3196.97 g/mol, XLogP of 18.98, 52 rotatable bonds, 14 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158410817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).