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

C213H240N38O31S4 — CID 158122928

IUPACN-[(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
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1c1ncc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)s1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)CC1=Cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2n1C)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(C)=O)c5ccccc5)[nH]4)cc3)sc2n1)C(C)C.CC(C)OC(=O)N[C@@H](C(=O)N1CCCCC1C(=O)Cc1cn2cc(-c3ccc(-c4cnc(C5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1
InChIInChI=1S/C44H52N8O7S.C43H49N7O7.C43H48N6O7.C42H45N9O5S2.C41H46N8O5S/c1-26(2)38(48-37(55)25-53)41(56)52-20-10-14-34(52)40-45-22-32(47-40)28-15-17-29(18-16-28)36-24-50-23-31(46-43(50)60-36)21-35(54)33-13-8-9-19-51(33)42(57)39(30-11-6-5-7-12-30)49-44(58)59-27(3)4;1-25(2)39(47-38(54)24-51)42(55)50-19-9-13-33(50)41-44-23-31(46-41)27-14-16-28(17-15-27)36-22-34-37(57-36)21-30(48(34)4)20-35(53)32-12-8-18-49(32)43(56)40(45-26(3)52)29-10-6-5-7-11-29;1-25(2)39(47-38(53)24-50)42(54)49-18-8-12-34(49)41-44-23-32(46-41)28-13-15-29(16-14-28)37-22-31-19-27(21-36(31)56-37)20-35(52)33-11-7-17-48(33)43(55)40(45-26(3)51)30-9-5-4-6-10-30;1-24(2)36(48-35(54)23-52)40(55)50-17-7-11-31(50)38-43-19-29(46-38)26-13-15-27(16-14-26)34-22-49-21-30(47-42(49)58-34)33-20-44-39(57-33)32-12-8-18-51(32)41(56)37(45-25(3)53)28-9-5-4-6-10-28;1-24(2)36(43-25(3)50)39(53)48-18-8-12-32(48)34(52)20-30-22-47-23-35(55-41(47)45-30)28-16-14-27(15-17-28)31-21-42-38(46-31)33-13-9-19-49(33)40(54)37(44-26(4)51)29-10-6-5-7-11-29/h5-7,11-12,15-18,22-24,26-27,33-34,38-39,53H,8-10,13-14,19-21,25H2,1-4H3,(H,45,47)(H,48,55)(H,49,58);5-7,10-11,14-17,21-23,25,32-33,39-40,51H,8-9,12-13,18-20,24H2,1-4H3,(H,44,46)(H,45,52)(H,47,54);4-6,9-10,13-16,21-23,25,33-34,39-40,50H,7-8,11-12,17-20,24H2,1-3H3,(H,44,46)(H,45,51)(H,47,53);4-6,9-10,13-16,19-22,24,31-32,36-37,52H,7-8,11-12,17-18,23H2,1-3H3,(H,43,46)(H,45,53)(H,48,54);5-7,10-11,14-17,21-24,32-33,36-37H,8-9,12-13,18-20H2,1-4H3,(H,42,46)(H,43,50)(H,44,51)/t33?,34?,38-,39+;32-,33-,39-,40+;33-,34-,39-,40+;31-,32?,36-,37+;32-,33-,36-,37+/m00000/s1
InChIKeyFRUYBYMVGANFTA-YMGQONSASA-N
MW3956.77 g/mol
LogP26.29
Rot. Bonds64

About 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

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 (PubChem CID 158122928) has the molecular formula C213H240N38O31S4 and a molecular weight of 3956.77 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158122928
Molecular FormulaC213H240N38O31S4
Molecular Weight3956.77 g/mol
Exact Mass3953.73
IUPAC NameN-[(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
SMILESCC(=O)N[C@@H](C(=O)N1CCCC1c1ncc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)s1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)CC1=Cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2n1C)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(C)=O)c5ccccc5)[nH]4)cc3)sc2n1)C(C)C.CC(C)OC(=O)N[C@@H](C(=O)N1CCCCC1C(=O)Cc1cn2cc(-c3ccc(-c4cnc(C5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1
InChIInChI=1S/C44H52N8O7S.C43H49N7O7.C43H48N6O7.C42H45N9O5S2.C41H46N8O5S/c1-26(2)38(48-37(55)25-53)41(56)52-20-10-14-34(52)40-45-22-32(47-40)28-15-17-29(18-16-28)36-24-50-23-31(46-43(50)60-36)21-35(54)33-13-8-9-19-51(33)42(57)39(30-11-6-5-7-12-30)49-44(58)59-27(3)4;1-25(2)39(47-38(54)24-51)42(55)50-19-9-13-33(50)41-44-23-31(46-41)27-14-16-28(17-15-27)36-22-34-37(57-36)21-30(48(34)4)20-35(53)32-12-8-18-49(32)43(56)40(45-26(3)52)29-10-6-5-7-11-29;1-25(2)39(47-38(53)24-50)42(54)49-18-8-12-34(49)41-44-23-32(46-41)28-13-15-29(16-14-28)37-22-31-19-27(21-36(31)56-37)20-35(52)33-11-7-17-48(33)43(55)40(45-26(3)51)30-9-5-4-6-10-30;1-24(2)36(48-35(54)23-52)40(55)50-17-7-11-31(50)38-43-19-29(46-38)26-13-15-27(16-14-26)34-22-49-21-30(47-42(49)58-34)33-20-44-39(57-33)32-12-8-18-51(32)41(56)37(45-25(3)53)28-9-5-4-6-10-28;1-24(2)36(43-25(3)50)39(53)48-18-8-12-32(48)34(52)20-30-22-47-23-35(55-41(47)45-30)28-16-14-27(15-17-28)31-21-42-38(46-31)33-13-9-19-49(33)40(54)37(44-26(4)51)29-10-6-5-7-11-29/h5-7,11-12,15-18,22-24,26-27,33-34,38-39,53H,8-10,13-14,19-21,25H2,1-4H3,(H,45,47)(H,48,55)(H,49,58);5-7,10-11,14-17,21-23,25,32-33,39-40,51H,8-9,12-13,18-20,24H2,1-4H3,(H,44,46)(H,45,52)(H,47,54);4-6,9-10,13-16,21-23,25,33-34,39-40,50H,7-8,11-12,17-20,24H2,1-3H3,(H,44,46)(H,45,51)(H,47,53);4-6,9-10,13-16,19-22,24,31-32,36-37,52H,7-8,11-12,17-18,23H2,1-3H3,(H,43,46)(H,45,53)(H,48,54);5-7,10-11,14-17,21-24,32-33,36-37H,8-9,12-13,18-20H2,1-4H3,(H,42,46)(H,43,50)(H,44,51)/t33?,34?,38-,39+;32-,33-,39-,40+;33-,34-,39-,40+;31-,32?,36-,37+;32-,33-,36-,37+/m00000/s1
InChIKeyFRUYBYMVGANFTA-YMGQONSASA-N
XLogP26.29
TPSA891.93 Ų
H-Bond Donors19
H-Bond Acceptors48
Rotatable Bonds64
Heavy Atoms286
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003956.77
LogP ≤ 526.29
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1048

Analyze 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 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-[(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-[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
(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-[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
methyl N-[(1R)-2-[2-[6-[2-[4-[2-[1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 70809108
methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(2S)-1-[(2S)-2-[(2-hydroxyacetyl)amino]-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 58310346
methyl N-[2-[2-[5-[4-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 126647097
methyl N-[(1R)-2-[(2S)-2-[5-[4-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 118569549
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
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N[C@@H](C(=O)N1CCCC1c1ncc(-c2cn3cc(-c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]5)cc4)sc3n2)s1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)CC1=Cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2C1)c1ccccc1.CC(=O)N[C@@H](C(=O)N1CCC[C@H]1C(=O)Cc1cc2oc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)cc2n1C)c1ccccc1.CC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Cc1cn2cc(-c3ccc(-c4cnc([C@@H]5CCCN5C(=O)[C@H](NC(C)=O)c5ccccc5)[nH]4)cc3)sc2n1)C(C)C.CC(C)OC(=O)N[C@@H](C(=O)N1CCCCC1C(=O)Cc1cn2cc(-c3ccc(-c4cnc(C5CCCN5C(=O)[C@@H](NC(=O)CO)C(C)C)[nH]4)cc3)sc2n1)c1ccccc1.
What is the InChIKey of 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?
The InChIKey is FRUYBYMVGANFTA-YMGQONSASA-N. The full InChI is InChI=1S/C44H52N8O7S.C43H49N7O7.C43H48N6O7.C42H45N9O5S2.C41H46N8O5S/c1-26(2)38(48-37(55)25-53)41(56)52-20-10-14-34(52)40-45-22-32(47-40)28-15-17-29(18-16-28)36-24-50-23-31(46-43(50)60-36)21-35(54)33-13-8-9-19-51(33)42(57)39(30-11-6-5-7-12-30)49-44(58)59-27(3)4;1-25(2)39(47-38(54)24-51)42(55)50-19-9-13-33(50)41-44-23-31(46-41)27-14-16-28(17-15-27)36-22-34-37(57-36)21-30(48(34)4)20-35(53)32-12-8-18-49(32)43(56)40(45-26(3)52)29-10-6-5-7-11-29;1-25(2)39(47-38(53)24-50)42(54)49-18-8-12-34(49)41-44-23-32(46-41)28-13-15-29(16-14-28)37-22-31-19-27(21-36(31)56-37)20-35(52)33-11-7-17-48(33)43(55)40(45-26(3)51)30-9-5-4-6-10-30;1-24(2)36(48-35(54)23-52)40(55)50-17-7-11-31(50)38-43-19-29(46-38)26-13-15-27(16-14-26)34-22-49-21-30(47-42(49)58-34)33-20-44-39(57-33)32-12-8-18-51(32)41(56)37(45-25(3)53)28-9-5-4-6-10-28;1-24(2)36(43-25(3)50)39(53)48-18-8-12-32(48)34(52)20-30-22-47-23-35(55-41(47)45-30)28-16-14-27(15-17-28)31-21-42-38(46-31)33-13-9-19-49(33)40(54)37(44-26(4)51)29-10-6-5-7-11-29/h5-7,11-12,15-18,22-24,26-27,33-34,38-39,53H,8-10,13-14,19-21,25H2,1-4H3,(H,45,47)(H,48,55)(H,49,58);5-7,10-11,14-17,21-23,25,32-33,39-40,51H,8-9,12-13,18-20,24H2,1-4H3,(H,44,46)(H,45,52)(H,47,54);4-6,9-10,13-16,21-23,25,33-34,39-40,50H,7-8,11-12,17-20,24H2,1-3H3,(H,44,46)(H,45,51)(H,47,53);4-6,9-10,13-16,19-22,24,31-32,36-37,52H,7-8,11-12,17-18,23H2,1-3H3,(H,43,46)(H,45,53)(H,48,54);5-7,10-11,14-17,21-24,32-33,36-37H,8-9,12-13,18-20H2,1-4H3,(H,42,46)(H,43,50)(H,44,51)/t33?,34?,38-,39+;32-,33-,39-,40+;33-,34-,39-,40+;31-,32?,36-,37+;32-,33-,36-,37+/m00000/s1.
What are the key properties of 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?
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 has a molecular weight of 3956.77 g/mol, XLogP of 26.29, 64 rotatable bonds, 19 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158122928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).