(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

C192H232N42O29S7 — CID 158404421

IUPAC(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
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(c2csc3c2ccn3-c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](NC(=O)CO)c4ccccc4)[nH]3)cc2)C1)c1ccccc1.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)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-n3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)c3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1csc2c1ccn2-c1ccc(-c2cnc(C3CCCN3C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]2)cc1)C(C)C
InChIInChI=1S/C47H46N8O5S.C38H48N8O6S.C36H47N9O6S.C36H46N8O6S2.C35H45N9O6S2/c1-29(57)50-42(31-10-4-2-5-11-31)45(59)54-21-8-14-39(54)37-24-33(25-48-37)36-28-61-47-35(36)20-23-53(47)34-18-16-30(17-19-34)38-26-49-44(51-38)40-15-9-22-55(40)46(60)43(52-41(58)27-56)32-12-6-3-7-13-32;1-21(2)32(40-23(5)48)36(51)46-16-7-9-30(46)35(50)42-28-20-53-38-26(28)14-17-44(38)25-12-10-24(11-13-25)27-18-39-34(41-27)29-8-6-15-45(29)37(52)33(22(3)4)43-31(49)19-47;1-20(2)31(38-22(5)47)34(50)44-11-6-8-26(44)28(48)14-24-17-43-18-30(52-36(43)39-24)42-13-10-23(16-42)25-15-37-33(40-25)27-9-7-12-45(27)35(51)32(21(3)4)41-29(49)19-46;1-19(2)31(38-21(5)46)34(49)43-12-6-8-24(43)26(47)14-22-16-42-17-29(52-36(42)39-22)28-11-10-27(51-28)23-15-37-33(40-23)25-9-7-13-44(25)35(50)32(20(3)4)41-30(48)18-45;1-18(2)29(38-20(5)46)33(49)43-10-6-8-23(43)25(47)12-21-15-42-16-27(52-35(42)39-21)32-37-14-26(51-32)22-13-36-31(40-22)24-9-7-11-44(24)34(50)30(19(3)4)41-28(48)17-45/h2-7,10-13,16-20,23,25-26,28,39-40,42-43,56H,8-9,14-15,21-22,24,27H2,1H3,(H,49,51)(H,50,57)(H,52,58);10-14,17-18,20-22,29-30,32-33,47H,6-9,15-16,19H2,1-5H3,(H,39,41)(H,40,48)(H,42,50)(H,43,49);10,13,15-18,20-21,26-27,31-32,46H,6-9,11-12,14,19H2,1-5H3,(H,37,40)(H,38,47)(H,41,49);10-11,15-17,19-20,24-25,31-32,45H,6-9,12-14,18H2,1-5H3,(H,37,40)(H,38,46)(H,41,48);13-16,18-19,23-24,29-30,45H,6-12,17H2,1-5H3,(H,36,40)(H,38,46)(H,41,48)/t39?,40?,42-,43-;29?,30-,32-,33-;26-,27-,31-,32-;24-,25-,31-,32-;23-,24-,29-,30-/m10000/s1
InChIKeyGYMRPZXXHXJZOI-FCHPPOQNSA-N
MW3816.70 g/mol
LogP19.80
Rot. Bonds63

About (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

(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 (PubChem CID 158404421) has the molecular formula C192H232N42O29S7 and a molecular weight of 3816.70 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID158404421
Molecular FormulaC192H232N42O29S7
Molecular Weight3816.70 g/mol
Exact Mass3813.60
IUPAC Name(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
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(c2csc3c2ccn3-c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](NC(=O)CO)c4ccccc4)[nH]3)cc2)C1)c1ccccc1.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)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-n3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)c3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1csc2c1ccn2-c1ccc(-c2cnc(C3CCCN3C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]2)cc1)C(C)C
InChIInChI=1S/C47H46N8O5S.C38H48N8O6S.C36H47N9O6S.C36H46N8O6S2.C35H45N9O6S2/c1-29(57)50-42(31-10-4-2-5-11-31)45(59)54-21-8-14-39(54)37-24-33(25-48-37)36-28-61-47-35(36)20-23-53(47)34-18-16-30(17-19-34)38-26-49-44(51-38)40-15-9-22-55(40)46(60)43(52-41(58)27-56)32-12-6-3-7-13-32;1-21(2)32(40-23(5)48)36(51)46-16-7-9-30(46)35(50)42-28-20-53-38-26(28)14-17-44(38)25-12-10-24(11-13-25)27-18-39-34(41-27)29-8-6-15-45(29)37(52)33(22(3)4)43-31(49)19-47;1-20(2)31(38-22(5)47)34(50)44-11-6-8-26(44)28(48)14-24-17-43-18-30(52-36(43)39-24)42-13-10-23(16-42)25-15-37-33(40-25)27-9-7-12-45(27)35(51)32(21(3)4)41-29(49)19-46;1-19(2)31(38-21(5)46)34(49)43-12-6-8-24(43)26(47)14-22-16-42-17-29(52-36(42)39-22)28-11-10-27(51-28)23-15-37-33(40-23)25-9-7-13-44(25)35(50)32(20(3)4)41-30(48)18-45;1-18(2)29(38-20(5)46)33(49)43-10-6-8-23(43)25(47)12-21-15-42-16-27(52-35(42)39-21)32-37-14-26(51-32)22-13-36-31(40-22)24-9-7-11-44(24)34(50)30(19(3)4)41-28(48)17-45/h2-7,10-13,16-20,23,25-26,28,39-40,42-43,56H,8-9,14-15,21-22,24,27H2,1H3,(H,49,51)(H,50,57)(H,52,58);10-14,17-18,20-22,29-30,32-33,47H,6-9,15-16,19H2,1-5H3,(H,39,41)(H,40,48)(H,42,50)(H,43,49);10,13,15-18,20-21,26-27,31-32,46H,6-9,11-12,14,19H2,1-5H3,(H,37,40)(H,38,47)(H,41,49);10-11,15-17,19-20,24-25,31-32,45H,6-9,12-14,18H2,1-5H3,(H,37,40)(H,38,46)(H,41,48);13-16,18-19,23-24,29-30,45H,6-12,17H2,1-5H3,(H,36,40)(H,38,46)(H,41,48)/t39?,40?,42-,43-;29?,30-,32-,33-;26-,27-,31-,32-;24-,25-,31-,32-;23-,24-,29-,30-/m10000/s1
InChIKeyGYMRPZXXHXJZOI-FCHPPOQNSA-N
XLogP19.80
TPSA910.90 Ų
H-Bond Donors21
H-Bond Acceptors52
Rotatable Bonds63
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003816.70
LogP ≤ 519.80
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1052

Analyze (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 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-[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
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-[(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-[(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-[(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
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
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-[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
(2S)-N-[4-[6-[[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]-1-[(2S)-2-[(2-hydroxyacetyl)amino]-2-phenylacetyl]pyrrolidine-2-carboxamide
CID 58310410

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(=O)N[C@@H](C(=O)N1CCCC1C1=NC=C(c2csc3c2ccn3-c2ccc(-c3cnc(C4CCCN4C(=O)[C@H](NC(=O)CO)c4ccccc4)[nH]3)cc2)C1)c1ccccc1.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)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ncc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)s3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-n3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)c3)sc2n1)C(C)C.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1csc2c1ccn2-c1ccc(-c2cnc(C3CCCN3C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]2)cc1)C(C)C.
What is the InChIKey of (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?
The InChIKey is GYMRPZXXHXJZOI-FCHPPOQNSA-N. The full InChI is InChI=1S/C47H46N8O5S.C38H48N8O6S.C36H47N9O6S.C36H46N8O6S2.C35H45N9O6S2/c1-29(57)50-42(31-10-4-2-5-11-31)45(59)54-21-8-14-39(54)37-24-33(25-48-37)36-28-61-47-35(36)20-23-53(47)34-18-16-30(17-19-34)38-26-49-44(51-38)40-15-9-22-55(40)46(60)43(52-41(58)27-56)32-12-6-3-7-13-32;1-21(2)32(40-23(5)48)36(51)46-16-7-9-30(46)35(50)42-28-20-53-38-26(28)14-17-44(38)25-12-10-24(11-13-25)27-18-39-34(41-27)29-8-6-15-45(29)37(52)33(22(3)4)43-31(49)19-47;1-20(2)31(38-22(5)47)34(50)44-11-6-8-26(44)28(48)14-24-17-43-18-30(52-36(43)39-24)42-13-10-23(16-42)25-15-37-33(40-25)27-9-7-12-45(27)35(51)32(21(3)4)41-29(49)19-46;1-19(2)31(38-21(5)46)34(49)43-12-6-8-24(43)26(47)14-22-16-42-17-29(52-36(42)39-22)28-11-10-27(51-28)23-15-37-33(40-23)25-9-7-13-44(25)35(50)32(20(3)4)41-30(48)18-45;1-18(2)29(38-20(5)46)33(49)43-10-6-8-23(43)25(47)12-21-15-42-16-27(52-35(42)39-21)32-37-14-26(51-32)22-13-36-31(40-22)24-9-7-11-44(24)34(50)30(19(3)4)41-28(48)17-45/h2-7,10-13,16-20,23,25-26,28,39-40,42-43,56H,8-9,14-15,21-22,24,27H2,1H3,(H,49,51)(H,50,57)(H,52,58);10-14,17-18,20-22,29-30,32-33,47H,6-9,15-16,19H2,1-5H3,(H,39,41)(H,40,48)(H,42,50)(H,43,49);10,13,15-18,20-21,26-27,31-32,46H,6-9,11-12,14,19H2,1-5H3,(H,37,40)(H,38,47)(H,41,49);10-11,15-17,19-20,24-25,31-32,45H,6-9,12-14,18H2,1-5H3,(H,37,40)(H,38,46)(H,41,48);13-16,18-19,23-24,29-30,45H,6-12,17H2,1-5H3,(H,36,40)(H,38,46)(H,41,48)/t39?,40?,42-,43-;29?,30-,32-,33-;26-,27-,31-,32-;24-,25-,31-,32-;23-,24-,29-,30-/m10000/s1.
What are the key properties of (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?
(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 has a molecular weight of 3816.70 g/mol, XLogP of 19.80, 63 rotatable bonds, 21 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 158404421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).