acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

C192H223BBr7N29O33S8 — CID 160822009

IUPACacetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESBrc1ccc2ncsc2c1.CC(=O)O.CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1nc2ccc(Br)cc2s1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)cc3s2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(Br)cc3s2)[nH]1.CC1(C)OB(c2ccc(-c3cnc(C4CCCC4)[nH]3)cc2)OC1(C)C.CCOC(=O)C(C)=O.CCOC(=O)c1nc2ccc(Br)cc2s1.COC(=O)C[C@H](C(C)=O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(C)=O)C(C)C)[nH]5)cc4)cc3s2)[nH]1)C(C)C.N.O=C(CBr)c1nc2ccc(Br)cc2s1.O=C(O)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C41H49N9O5S.C33H36N6O2S.C20H27BN2O2.C19H21BrN4O2S.C19H21BrN2O5S.C10H8BrNO2S.C10H17NO4.C9H5Br2NOS.C9H16O3.C8H4BrNO2S.C7H4BrNS.C5H8O3.C2H4O2.H3N/c1-22(2)34(44-24(5)51)39(52)49-17-7-9-31(49)36-42-20-29(45-36)26-13-11-25(12-14-26)27-15-16-28-33(19-27)56-38(47-28)30-21-43-37(46-30)32-10-8-18-50(32)40(53)35(23(3)4)48-41(54)55-6;1-33(2,3)41-32(40)39-16-6-9-27(39)30-35-19-26(37-30)31-38-24-15-14-23(17-28(24)42-31)20-10-12-21(13-11-20)25-18-34-29(36-25)22-7-4-5-8-22;1-19(2)20(3,4)25-21(24-19)16-11-9-14(10-12-16)17-13-22-18(23-17)15-7-5-6-8-15;1-19(2,3)26-18(25)24-8-4-5-14(24)16-21-10-13(22-16)17-23-12-7-6-11(20)9-15(12)27-17;1-19(2,3)27-18(25)22-8-4-5-13(22)17(24)26-10-14(23)16-21-12-7-6-11(20)9-15(12)28-16;1-2-14-10(13)9-12-7-4-3-6(11)5-8(7)15-9;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;10-4-7(13)9-12-6-2-1-5(11)3-8(6)14-9;1-6(2)8(7(3)10)5-9(11)12-4;9-4-1-2-5-6(3-4)13-7(10-5)8(11)12;8-5-1-2-6-7(3-5)10-4-9-6;1-3-8-5(7)4(2)6;1-2(3)4;/h11-16,19-23,31-32,34-35H,7-10,17-18H2,1-6H3,(H,42,45)(H,43,46)(H,44,51)(H,48,54);10-15,17-19,22,27H,4-9,16H2,1-3H3,(H,34,36)(H,35,37);9-13,15H,5-8H2,1-4H3,(H,22,23);6-7,9-10,14H,4-5,8H2,1-3H3,(H,21,22);6-7,9,13H,4-5,8,10H2,1-3H3;3-5H,2H2,1H3;7H,4-6H2,1-3H3,(H,12,13);1-3H,4H2;6,8H,5H2,1-4H3;1-3H,(H,11,12);1-4H;3H2,1-2H3;1H3,(H,3,4);1H3/t31?,32-,34-,35-;27-;;14-;;;7-;;8-;;;;;/m00.0..0.0...../s1
InChIKeyNSOONAWUVPNVEF-IOOMEZPPSA-N
MW4291.74 g/mol
LogP44.78
Rot. Bonds37

About acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 160822009) has the molecular formula C192H223BBr7N29O33S8 and a molecular weight of 4291.74 g/mol. Its IUPAC name is acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameacetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID160822009
Molecular FormulaC192H223BBr7N29O33S8
Molecular Weight4291.74 g/mol
Exact Mass4281.88
IUPAC Nameacetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SMILESBrc1ccc2ncsc2c1.CC(=O)O.CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1nc2ccc(Br)cc2s1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)cc3s2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(Br)cc3s2)[nH]1.CC1(C)OB(c2ccc(-c3cnc(C4CCCC4)[nH]3)cc2)OC1(C)C.CCOC(=O)C(C)=O.CCOC(=O)c1nc2ccc(Br)cc2s1.COC(=O)C[C@H](C(C)=O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(C)=O)C(C)C)[nH]5)cc4)cc3s2)[nH]1)C(C)C.N.O=C(CBr)c1nc2ccc(Br)cc2s1.O=C(O)c1nc2ccc(Br)cc2s1
InChIInChI=1S/C41H49N9O5S.C33H36N6O2S.C20H27BN2O2.C19H21BrN4O2S.C19H21BrN2O5S.C10H8BrNO2S.C10H17NO4.C9H5Br2NOS.C9H16O3.C8H4BrNO2S.C7H4BrNS.C5H8O3.C2H4O2.H3N/c1-22(2)34(44-24(5)51)39(52)49-17-7-9-31(49)36-42-20-29(45-36)26-13-11-25(12-14-26)27-15-16-28-33(19-27)56-38(47-28)30-21-43-37(46-30)32-10-8-18-50(32)40(53)35(23(3)4)48-41(54)55-6;1-33(2,3)41-32(40)39-16-6-9-27(39)30-35-19-26(37-30)31-38-24-15-14-23(17-28(24)42-31)20-10-12-21(13-11-20)25-18-34-29(36-25)22-7-4-5-8-22;1-19(2)20(3,4)25-21(24-19)16-11-9-14(10-12-16)17-13-22-18(23-17)15-7-5-6-8-15;1-19(2,3)26-18(25)24-8-4-5-14(24)16-21-10-13(22-16)17-23-12-7-6-11(20)9-15(12)27-17;1-19(2,3)27-18(25)22-8-4-5-13(22)17(24)26-10-14(23)16-21-12-7-6-11(20)9-15(12)28-16;1-2-14-10(13)9-12-7-4-3-6(11)5-8(7)15-9;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;10-4-7(13)9-12-6-2-1-5(11)3-8(6)14-9;1-6(2)8(7(3)10)5-9(11)12-4;9-4-1-2-5-6(3-4)13-7(10-5)8(11)12;8-5-1-2-6-7(3-5)10-4-9-6;1-3-8-5(7)4(2)6;1-2(3)4;/h11-16,19-23,31-32,34-35H,7-10,17-18H2,1-6H3,(H,42,45)(H,43,46)(H,44,51)(H,48,54);10-15,17-19,22,27H,4-9,16H2,1-3H3,(H,34,36)(H,35,37);9-13,15H,5-8H2,1-4H3,(H,22,23);6-7,9-10,14H,4-5,8H2,1-3H3,(H,21,22);6-7,9,13H,4-5,8,10H2,1-3H3;3-5H,2H2,1H3;7H,4-6H2,1-3H3,(H,12,13);1-3H,4H2;6,8H,5H2,1-4H3;1-3H,(H,11,12);1-4H;3H2,1-2H3;1H3,(H,3,4);1H3/t31?,32-,34-,35-;27-;;14-;;;7-;;8-;;;;;/m00.0..0.0...../s1
InChIKeyNSOONAWUVPNVEF-IOOMEZPPSA-N
XLogP44.78
TPSA840.25 Ų
H-Bond Donors12
H-Bond Acceptors53
Rotatable Bonds37
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004291.74
LogP ≤ 544.78
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1053

Analyze acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;2-bromo-1-(7-bromoquinolin-3-yl)ethanone;7-bromo-3-(2-cyclopentyl-1H-imidazol-5-yl)quinoline;7-bromo-N-methoxy-N-methylquinoline-3-carboxamide;7-bromoquinoline-3-carboxylic acid;1-(7-bromoquinolin-3-yl)ethanone;2-O-[2-(7-bromoquinolin-3-yl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-[5-[4-[3-(2-cyclopentyl-1H-imidazol-5-yl)quinolin-7-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;carbanide;methane;N-methoxymethanamine;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[7-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]quinolin-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;chloride
CID 159755828
5-(6-bromonaphthalen-2-yl)-2-cyclopentyl-1H-imidazole;tert-butyl 2-[5-[4-[6-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl 2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;(2R)-2-(dimethylamino)-2-phenylacetic acid;4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[2-[5-[6-[4-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]naphthalen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 160861562
acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;[2-(4-bromophenyl)-2-oxoethyl] (3R)-thiane-3-carboxylate;tert-butyl 3-[5-(4-bromophenyl)-1H-imidazol-2-yl]thiomorpholine-4-carboxylate;tert-butyl 3-[5-[4-[2-(2-cyclopentyl-3H-benzimidazol-5-yl)ethynyl]phenyl]-1H-imidazol-2-yl]thiomorpholine-4-carboxylate;2-cyclopentyl-6-ethynyl-1H-benzimidazole;methyl N-[(2S)-1-[(3R)-3-[5-[4-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]phenyl]-1H-imidazol-2-yl]thiomorpholin-4-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
CID 158192078
acetic acid;azane;5-(7-bromodibenzofuran-3-yl)-2-cyclopentyl-1H-imidazole;[2-(7-bromodibenzofuran-3-yl)-2-oxoethyl] cyclopentanecarboxylate;tert-butyl (2S)-2-[5-[7-(2-cyclopentyl-1H-imidazol-5-yl)dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-indol-2-yl]pyrrolidine-1-carboxylate;methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]dibenzofuran-3-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 161006660
acetic acid;azane;2-bromo-1,3-dimethylbenzene;1-(4-bromo-3,5-dimethylphenyl)-2-chloroethanone;5-(4-bromo-3,5-dimethylphenyl)-2-cyclopentyl-1H-imidazole;2-O-[2-(4-bromo-3,5-dimethylphenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl 2-[5-[4-[2-(2-cyclopentyl-3H-benzimidazol-5-yl)ethynyl]-3,5-dimethylphenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-6-ethynyl-1H-benzimidazole;methyl N-[(2S)-1-[(2S)-2-[5-[4-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-3,5-dimethylphenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 159128335
methyl N-[1-[(2S)-2-[5-[4-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,3-benzothiazol-6-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70142568
tert-butyl N-[2-(4-bromophenyl)-2-oxoethyl]carbamate;tert-butyl N-[2-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-2-oxoethyl]carbamate;methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-(2-aminoacetyl)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 160958438
6-bromo-2-cyclopentyl-1H-benzimidazole;tert-butyl (2S)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate;methane;(2S)-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-(6-bromo-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl N-[(2S)-1-[(1R,3S,4S)-3-[4-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-1-oxopropan-2-yl]carbamate;methyl N-[(2S)-1-oxo-1-[(1R,3S,4S)-3-[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]-3H-pyrrol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]propan-2-yl]carbamate
CID 159255485
acetic acid;acetonitrile;azane;2-bromo-1-(4-bromophenyl)ethanone;2-O-[2-(4-bromophenyl)-2-oxoethyl] 1-O-tert-butyl (2S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate;tert-butyl (4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;tert-butyl (2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;N,N-diethylethanamine;(2R)-2-(methoxycarbonylamino)-2-phenylacetic acid;(2S)-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;methyl N-[(1R)-2-[(2S,4S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-1-phenylethyl]carbamate;methyl N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 157352389
6-bromo-2-cyclopentyl-1H-benzimidazole;tert-butyl (2S)-2-[6-[5-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]thiophen-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]phenyl]-1H-imidazole;methane;(2S)-2-(methoxycarbonylamino)-3-methylbutanoic acid;methyl N-[(2S)-1-[(2S)-2-[5-[4-[5-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]thiophen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;palladium;tetrakis(triphenylphosphane)
CID 160845791
methyl N-[3-methyl-1-oxo-1-[(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate
CID 70911747
tert-butyl 2-[[2-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-6-yl]carbamoylcarbamoyl]pyrrolidine-1-carboxylate
CID 71140445

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid (CID 160822009) is acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is Brc1ccc2ncsc2c1.CC(=O)O.CC(C)(C)OC(=O)N1CCCC1C(=O)OCC(=O)c1nc2ccc(Br)cc2s1.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCC6)[nH]5)cc4)cc3s2)[nH]1.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(Br)cc3s2)[nH]1.CC1(C)OB(c2ccc(-c3cnc(C4CCCC4)[nH]3)cc2)OC1(C)C.CCOC(=O)C(C)=O.CCOC(=O)c1nc2ccc(Br)cc2s1.COC(=O)C[C@H](C(C)=O)C(C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2nc3ccc(-c4ccc(-c5cnc(C6CCCN6C(=O)[C@@H](NC(C)=O)C(C)C)[nH]5)cc4)cc3s2)[nH]1)C(C)C.N.O=C(CBr)c1nc2ccc(Br)cc2s1.O=C(O)c1nc2ccc(Br)cc2s1.
What is the InChIKey of acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NSOONAWUVPNVEF-IOOMEZPPSA-N. The full InChI is InChI=1S/C41H49N9O5S.C33H36N6O2S.C20H27BN2O2.C19H21BrN4O2S.C19H21BrN2O5S.C10H8BrNO2S.C10H17NO4.C9H5Br2NOS.C9H16O3.C8H4BrNO2S.C7H4BrNS.C5H8O3.C2H4O2.H3N/c1-22(2)34(44-24(5)51)39(52)49-17-7-9-31(49)36-42-20-29(45-36)26-13-11-25(12-14-26)27-15-16-28-33(19-27)56-38(47-28)30-21-43-37(46-30)32-10-8-18-50(32)40(53)35(23(3)4)48-41(54)55-6;1-33(2,3)41-32(40)39-16-6-9-27(39)30-35-19-26(37-30)31-38-24-15-14-23(17-28(24)42-31)20-10-12-21(13-11-20)25-18-34-29(36-25)22-7-4-5-8-22;1-19(2)20(3,4)25-21(24-19)16-11-9-14(10-12-16)17-13-22-18(23-17)15-7-5-6-8-15;1-19(2,3)26-18(25)24-8-4-5-14(24)16-21-10-13(22-16)17-23-12-7-6-11(20)9-15(12)27-17;1-19(2,3)27-18(25)22-8-4-5-13(22)17(24)26-10-14(23)16-21-12-7-6-11(20)9-15(12)28-16;1-2-14-10(13)9-12-7-4-3-6(11)5-8(7)15-9;1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13;10-4-7(13)9-12-6-2-1-5(11)3-8(6)14-9;1-6(2)8(7(3)10)5-9(11)12-4;9-4-1-2-5-6(3-4)13-7(10-5)8(11)12;8-5-1-2-6-7(3-5)10-4-9-6;1-3-8-5(7)4(2)6;1-2(3)4;/h11-16,19-23,31-32,34-35H,7-10,17-18H2,1-6H3,(H,42,45)(H,43,46)(H,44,51)(H,48,54);10-15,17-19,22,27H,4-9,16H2,1-3H3,(H,34,36)(H,35,37);9-13,15H,5-8H2,1-4H3,(H,22,23);6-7,9-10,14H,4-5,8H2,1-3H3,(H,21,22);6-7,9,13H,4-5,8,10H2,1-3H3;3-5H,2H2,1H3;7H,4-6H2,1-3H3,(H,12,13);1-3H,4H2;6,8H,5H2,1-4H3;1-3H,(H,11,12);1-4H;3H2,1-2H3;1H3,(H,3,4);1H3/t31?,32-,34-,35-;27-;;14-;;;7-;;8-;;;;;/m00.0..0.0...../s1.
What are the key properties of acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid?
acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 4291.74 g/mol, XLogP of 44.78, 37 rotatable bonds, 12 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;6-bromo-1,3-benzothiazole;6-bromo-1,3-benzothiazole-2-carboxylic acid;2-O-[2-(6-bromo-1,3-benzothiazol-2-yl)-2-oxoethyl] 1-O-tert-butyl pyrrolidine-1,2-dicarboxylate;2-bromo-1-(6-bromo-1,3-benzothiazol-2-yl)ethanone;tert-butyl (2S)-2-[5-(6-bromo-1,3-benzothiazol-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[5-[6-[4-(2-cyclopentyl-1H-imidazol-5-yl)phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate;2-cyclopentyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole;ethyl 6-bromo-1,3-benzothiazole-2-carboxylate;ethyl 2-oxopropanoate;methyl N-[(2S)-1-[(2S)-2-[5-[6-[4-[2-[1-[(2S)-2-acetamido-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1,3-benzothiazol-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;methyl (3S)-3-acetyl-4-methylpentanoate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 160822009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).