About 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide)
2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide) (PubChem CID 157471808) has the molecular formula C287H263N55O31S30
and a molecular weight of 5940.63 g/mol. Its IUPAC name is 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide).
Frequently Asked Questions
What is the IUPAC name of 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide)?
The IUPAC name of 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide) (CID 157471808) is 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide).
What is the SMILES notation for 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide)?
The canonical SMILES for 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide) is CC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C(C(C)C(C)C)NC(=O)C(Cc2ccc(C)cc2)NC(=O)c2csc(n2)C(C(C)c2ccccc2)CC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1.CC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C(C(C)C)NC(=O)C(Cc2ccc(C)cc2)NC(=O)c2csc(n2)C(C(C)c2ccccc2)CC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1.CC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C(C(C)C2CO2)NC(=O)C(Cc2ccc(C)cc2)NC(=O)c2csc(n2)C(C(C)c2ccccc2)CC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1.CC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C2C(C)C(C)CN2C(=O)C(Cc2ccc(C)cc2)NC(=O)c2csc(n2)C(C(C)c2ccccc2)CC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1.CC(=O)c1csc(-c2ccc3c(n2)-c2csc(n2)-c2csc(n2)C2C(C)C(C)CN2C(=O)C(Cc2ccc(C)cc2)NC(=O)c2csc(n2)C(C(C)c2ccccc2)CC(=O)c2nc(sc2C)C(CC(N)=O)NC(=O)c2csc-3n2)n1.
What is the InChIKey of 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide)?
The InChIKey is BVCVPGMLVRYJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C58H53N11O6S6.C58H55N11O6S6.C57H51N11O7S6.C56H51N11O6S6/c2*1-27-12-14-33(15-13-27)18-39-58(75)69-21-28(2)29(3)49(69)57-67-44(26-80-57)55-64-41(23-79-55)48-35(16-17-37(60-48)54-63-40(22-78-54)31(5)70)52-65-42(24-76-52)50(73)61-38(20-46(59)72)56-68-47(32(6)81-56)45(71)19-36(30(4)34-10-8-7-9-11-34)53-66-43(25-77-53)51(74)62-39;1-27(2)29(4)47-58-67-44(26-80-58)56-64-41(23-79-56)49-35(17-18-37(60-49)55-63-40(22-78-55)31(6)70)53-65-43(24-76-53)52(75)62-39(21-46(59)72)57-69-48(32(7)81-57)45(71)20-36(30(5)34-11-9-8-10-12-34)54-66-42(25-77-54)51(74)61-38(50(73)68-47)19-33-15-13-28(3)14-16-33;1-26-11-13-31(14-12-26)17-36-49(72)67-46(28(3)44-20-75-44)57-66-42(25-80-57)55-63-39(22-79-55)48-33(15-16-35(59-48)54-62-38(21-78-54)29(4)69)52-64-41(23-76-52)51(74)61-37(19-45(58)71)56-68-47(30(5)81-56)43(70)18-34(27(2)32-9-7-6-8-10-32)53-65-40(24-77-53)50(73)60-36;1-26(2)45-56-65-42(25-78-56)54-62-39(22-77-54)47-33(16-17-35(58-47)53-61-38(21-76-53)29(5)68)51-63-41(23-74-51)50(73)60-37(20-44(57)70)55-67-46(30(6)79-55)43(69)19-34(28(4)32-10-8-7-9-11-32)52-64-40(24-75-52)49(72)59-36(48(71)66-45)18-31-14-12-27(3)13-15-31/h2*7-17,22-26,28-30,36,38-39,49H,18-21H2,1-6H3,(H2,59,72)(H,61,73)(H,62,74);8-18,22-27,29-30,36,38-39,47H,19-21H2,1-7H3,(H2,59,72)(H,61,74)(H,62,75)(H,68,73);6-16,21-25,27-28,34,36-37,44,46H,17-20H2,1-5H3,(H2,58,71)(H,60,73)(H,61,74)(H,67,72);7-17,21-26,28,34,36-37,45H,18-20H2,1-6H3,(H2,57,70)(H,59,72)(H,60,73)(H,66,71).
What are the key properties of 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide)?
2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide) has a molecular weight of 5940.63 g/mol, XLogP of 55.61, 45 rotatable bonds, 18 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-35-(3-methylbutan-2-yl)-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-35-[1-(oxiran-2-yl)ethyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;2-[8-(4-acetyl-1,3-thiazol-2-yl)-21-methyl-32-[(4-methylphenyl)methyl]-16,23,30,33-tetraoxo-25-(1-phenylethyl)-35-propan-2-yl-3,13,20,27,37-pentathia-7,17,31,34,39,40,41,42,43-nonazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-18-yl]acetamide;bis(2-[36-(4-acetyl-1,3-thiazol-2-yl)-7,8,23-trimethyl-12-[(4-methylphenyl)methyl]-11,14,21,28-tetraoxo-19-(1-phenylethyl)-4,17,24,31,41-pentathia-10,13,27,37,42,43,44,45,46-nonazaoctacyclo[37.2.1.12,5.115,18.122,25.129,32.06,10.033,38]hexatetraconta-1(42),2,5(46),15,18(45),22,25(44),29,32(43),33(38),34,36,39-tridecaen-26-yl]acetamide) is sourced from PubChem (CID 157471808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).