1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one

C225H261N23O31S13 — CID 159570031

IUPAC1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one
SMILESCc1cccc(C(=O)N2C[C@H](O)CC2(C)C(=O)CCc2ccc(-c3scnc3C)cc2)c1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2CC(=O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(C)C)c2cccs2)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CS)NC(=O)CCC(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@](C)(O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)NC(=O)CCC(C)C)cc1
InChIInChI=1S/C52H68N6O8S4.C31H29N3O4S2.C31H35N3O4S.C30H31N3O4S.C29H35N3O4S2.C26H35N3O4S2.C26H28N2O3S/c1-31(2)7-21-47(63)55-41(51(65)57-25-39(59)23-43(57)45(61)19-13-35-9-15-37(16-10-35)49-33(5)53-29-67-49)27-69-70-28-42(56-48(64)22-8-32(3)4)52(66)58-26-40(60)24-44(58)46(62)20-14-36-11-17-38(18-12-36)50-34(6)54-30-68-50;1-19-29(40-18-32-19)21-11-8-20(9-12-21)10-13-26(36)25-15-23(35)17-33(25)31(38)28(27-7-4-14-39-27)34-16-22-5-2-3-6-24(22)30(34)37;1-19(2)27(33-16-23-7-5-6-8-24(23)29(33)36)30(37)34-17-31(4,38)15-25(34)26(35)14-11-21-9-12-22(13-10-21)28-20(3)32-18-39-28;1-18(2)27(33-15-22-6-4-5-7-24(22)29(33)36)30(37)32-16-23(34)14-25(32)26(35)13-10-20-8-11-21(12-9-20)28-19(3)31-17-38-28;1-18(2)6-13-26(35)31-27(25-5-4-14-37-25)29(36)32-16-22(33)15-23(32)24(34)12-9-20-7-10-21(11-8-20)28-19(3)30-17-38-28;1-16(2)4-11-24(32)28-21(14-34)26(33)29-13-20(30)12-22(29)23(31)10-7-18-5-8-19(9-6-18)25-17(3)27-15-35-25;1-17-5-4-6-21(13-17)25(31)28-15-22(29)14-26(28,3)23(30)12-9-19-7-10-20(11-8-19)24-18(2)27-16-32-24/h9-12,15-18,29-32,39-44,59-60H,7-8,13-14,19-28H2,1-6H3,(H,55,63)(H,56,64);2-9,11-12,14,18,23,25,28,35H,10,13,15-17H2,1H3;5-10,12-13,18-19,25,27,38H,11,14-17H2,1-4H3;4-9,11-12,17-18,25,27H,10,13-16H2,1-3H3;4-5,7-8,10-11,14,17-18,22-23,27,33H,6,9,12-13,15-16H2,1-3H3,(H,31,35);5-6,8-9,15-16,20-22,30,34H,4,7,10-14H2,1-3H3,(H,28,32);4-8,10-11,13,16,22,29H,9,12,14-15H2,1-3H3/t39-,40+,41+,42-,43+,44-;23-,25+,28+;25-,27-,31-;25-,27-;22-,23+,27+;20-,21+,22+;22-,26?/m.100111/s1
InChIKeyMHRRPDYSIXTSBT-AKKNYEMFSA-N
MW4200.56 g/mol
LogP34.53
Rot. Bonds77

About 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one

1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one (PubChem CID 159570031) has the molecular formula C225H261N23O31S13 and a molecular weight of 4200.56 g/mol. Its IUPAC name is 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one
PubChem CID159570031
Molecular FormulaC225H261N23O31S13
Molecular Weight4200.56 g/mol
Exact Mass4196.59
IUPAC Name1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one
SMILESCc1cccc(C(=O)N2C[C@H](O)CC2(C)C(=O)CCc2ccc(-c3scnc3C)cc2)c1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2CC(=O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(C)C)c2cccs2)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CS)NC(=O)CCC(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@](C)(O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)NC(=O)CCC(C)C)cc1
InChIInChI=1S/C52H68N6O8S4.C31H29N3O4S2.C31H35N3O4S.C30H31N3O4S.C29H35N3O4S2.C26H35N3O4S2.C26H28N2O3S/c1-31(2)7-21-47(63)55-41(51(65)57-25-39(59)23-43(57)45(61)19-13-35-9-15-37(16-10-35)49-33(5)53-29-67-49)27-69-70-28-42(56-48(64)22-8-32(3)4)52(66)58-26-40(60)24-44(58)46(62)20-14-36-11-17-38(18-12-36)50-34(6)54-30-68-50;1-19-29(40-18-32-19)21-11-8-20(9-12-21)10-13-26(36)25-15-23(35)17-33(25)31(38)28(27-7-4-14-39-27)34-16-22-5-2-3-6-24(22)30(34)37;1-19(2)27(33-16-23-7-5-6-8-24(23)29(33)36)30(37)34-17-31(4,38)15-25(34)26(35)14-11-21-9-12-22(13-10-21)28-20(3)32-18-39-28;1-18(2)27(33-15-22-6-4-5-7-24(22)29(33)36)30(37)32-16-23(34)14-25(32)26(35)13-10-20-8-11-21(12-9-20)28-19(3)31-17-38-28;1-18(2)6-13-26(35)31-27(25-5-4-14-37-25)29(36)32-16-22(33)15-23(32)24(34)12-9-20-7-10-21(11-8-20)28-19(3)30-17-38-28;1-16(2)4-11-24(32)28-21(14-34)26(33)29-13-20(30)12-22(29)23(31)10-7-18-5-8-19(9-6-18)25-17(3)27-15-35-25;1-17-5-4-6-21(13-17)25(31)28-15-22(29)14-26(28,3)23(30)12-9-19-7-10-20(11-8-19)24-18(2)27-16-32-24/h9-12,15-18,29-32,39-44,59-60H,7-8,13-14,19-28H2,1-6H3,(H,55,63)(H,56,64);2-9,11-12,14,18,23,25,28,35H,10,13,15-17H2,1H3;5-10,12-13,18-19,25,27,38H,11,14-17H2,1-4H3;4-9,11-12,17-18,25,27H,10,13-16H2,1-3H3;4-5,7-8,10-11,14,17-18,22-23,27,33H,6,9,12-13,15-16H2,1-3H3,(H,31,35);5-6,8-9,15-16,20-22,30,34H,4,7,10-14H2,1-3H3,(H,28,32);4-8,10-11,13,16,22,29H,9,12,14-15H2,1-3H3/t39-,40+,41+,42-,43+,44-;23-,25+,28+;25-,27-,31-;25-,27-;22-,23+,27+;20-,21+,22+;22-,26?/m.100111/s1
InChIKeyMHRRPDYSIXTSBT-AKKNYEMFSA-N
XLogP34.53
TPSA738.17 Ų
H-Bond Donors12
H-Bond Acceptors52
Rotatable Bonds77
Heavy Atoms292
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004200.56
LogP ≤ 534.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1052

Analyze 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

2-amino-3,3,3-trifluoro-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 158968539
N-[(2S,3S)-3-hydroxy-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-4-methylpentanamide;2-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-3H-isoindol-1-one;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide
CID 160828724
(2S,4R)-1-[(2S)-2-cyclohexyl-2-(4-methylpentanoylamino)acetyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-2-(4-methylpentanoylamino)propanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S,4R)-4-hydroxy-1-[(2R)-2-(4-methylpentanoylamino)-2-thiophen-2-ylacetyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-[6-(3-methoxyprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]-3-methylbutanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxopyrrolidine-2-carboxamide
CID 159655822
2-amino-3,3,3-trifluoro-1-[(4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]propan-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;(2S,4R)-4-hydroxy-N-isocyano-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboximidamide;(2S,4R)-4-hydroxy-4-methyl-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid;N-[1,1,1-trifluoro-3-[(4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-oxopropan-2-yl]acetamide
CID 159555393
tert-butyl N-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethyl]carbamate;2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;(2S,4R)-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N'-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-sulfanylpyrrolidine-2-carboximidamide
CID 162194697
4-chloro-2-[(2S)-1-[(4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;5-chloro-2-[(2S)-1-[(4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(4R)-2-ethyl-4-hydroxy-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;N-[(2S)-1-[(4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-3-(3-methylphenyl)propanamide
CID 167652875
N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide
CID 157104709
2-[(2S)-1-[(2S,4R)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;tris(2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one);1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-methyl-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
CID 158747769
tert-butyl N-[(2S)-1-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamate;2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(3-hydroxyoxetan-3-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(4R)-4-hydroxy-2-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 167631168
2-[(2S)-1-[(2S,4S)-4-hydroxy-4-(hydroxymethyl)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 159725226
2-[(2S)-1-[(2S,4R)-2-[3-(4-bromophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;5-fluoro-2-[(2S)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one
CID 157097299
2-[(2S)-1-[(2S,3R,4S)-3,4-dihydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;2-[(2S)-1-[(2S,4R)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]-N-[[4-(1,2-oxazol-4-yl)phenyl]methyl]pyrrolidine-2-carboxamide;(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)propan-1-one
CID 161186363

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one?
The IUPAC name of 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one (CID 159570031) is 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one.
What is the SMILES notation for 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one?
The canonical SMILES for 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one is Cc1cccc(C(=O)N2C[C@H](O)CC2(C)C(=O)CCc2ccc(-c3scnc3C)cc2)c1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2CC(=O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(C)C)c2cccs2)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CS)NC(=O)CCC(C)C)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](c2cccs2)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@@H]2C[C@](C)(O)CN2C(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)cc1.Cc1ncsc1-c1ccc(CCC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](CSSC[C@H](NC(=O)CCC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3scnc3C)cc2)NC(=O)CCC(C)C)cc1.
What is the InChIKey of 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one?
The InChIKey is MHRRPDYSIXTSBT-AKKNYEMFSA-N. The full InChI is InChI=1S/C52H68N6O8S4.C31H29N3O4S2.C31H35N3O4S.C30H31N3O4S.C29H35N3O4S2.C26H35N3O4S2.C26H28N2O3S/c1-31(2)7-21-47(63)55-41(51(65)57-25-39(59)23-43(57)45(61)19-13-35-9-15-37(16-10-35)49-33(5)53-29-67-49)27-69-70-28-42(56-48(64)22-8-32(3)4)52(66)58-26-40(60)24-44(58)46(62)20-14-36-11-17-38(18-12-36)50-34(6)54-30-68-50;1-19-29(40-18-32-19)21-11-8-20(9-12-21)10-13-26(36)25-15-23(35)17-33(25)31(38)28(27-7-4-14-39-27)34-16-22-5-2-3-6-24(22)30(34)37;1-19(2)27(33-16-23-7-5-6-8-24(23)29(33)36)30(37)34-17-31(4,38)15-25(34)26(35)14-11-21-9-12-22(13-10-21)28-20(3)32-18-39-28;1-18(2)27(33-15-22-6-4-5-7-24(22)29(33)36)30(37)32-16-23(34)14-25(32)26(35)13-10-20-8-11-21(12-9-20)28-19(3)31-17-38-28;1-18(2)6-13-26(35)31-27(25-5-4-14-37-25)29(36)32-16-22(33)15-23(32)24(34)12-9-20-7-10-21(11-8-20)28-19(3)30-17-38-28;1-16(2)4-11-24(32)28-21(14-34)26(33)29-13-20(30)12-22(29)23(31)10-7-18-5-8-19(9-6-18)25-17(3)27-15-35-25;1-17-5-4-6-21(13-17)25(31)28-15-22(29)14-26(28,3)23(30)12-9-19-7-10-20(11-8-19)24-18(2)27-16-32-24/h9-12,15-18,29-32,39-44,59-60H,7-8,13-14,19-28H2,1-6H3,(H,55,63)(H,56,64);2-9,11-12,14,18,23,25,28,35H,10,13,15-17H2,1H3;5-10,12-13,18-19,25,27,38H,11,14-17H2,1-4H3;4-9,11-12,17-18,25,27H,10,13-16H2,1-3H3;4-5,7-8,10-11,14,17-18,22-23,27,33H,6,9,12-13,15-16H2,1-3H3,(H,31,35);5-6,8-9,15-16,20-22,30,34H,4,7,10-14H2,1-3H3,(H,28,32);4-8,10-11,13,16,22,29H,9,12,14-15H2,1-3H3/t39-,40+,41+,42-,43+,44-;23-,25+,28+;25-,27-,31-;25-,27-;22-,23+,27+;20-,21+,22+;22-,26?/m.100111/s1.
What are the key properties of 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one?
1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one has a molecular weight of 4200.56 g/mol, XLogP of 34.53, 77 rotatable bonds, 12 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-hydroxy-2-methyl-1-(3-methylbenzoyl)pyrrolidin-2-yl]-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propan-1-one;2-[(2S)-1-[(2S,4S)-4-hydroxy-4-methyl-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3H-isoindol-1-one;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3-[[(2S)-3-[(2R,4S)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-(4-methylpentanoylamino)-3-oxopropyl]disulfanyl]-1-oxopropan-2-yl]-4-methylpentanamide;N-[(2R)-1-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-1-oxo-3-sulfanylpropan-2-yl]-4-methylpentanamide;2-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-3H-isoindol-1-one;N-[(1R)-2-[(2S,4R)-4-hydroxy-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]-4-methylpentanamide;2-[(2S)-3-methyl-1-[(2S)-2-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]-4-oxopyrrolidin-1-yl]-1-oxobutan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 159570031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).