2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen

C102H108N24O14S12 — CID 158643077

IUPAC2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen
SMILESC.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(N(C)C)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(NC)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.[H][H]
InChIInChI=1S/C51H52N12O7S6.C50H50N12O7S6.CH4.H2/c1-24(2)28-16-34(64)39-25(3)75-50(61-39)30(17-37(65)52-4)55-44(67)32-21-71-46(57-32)27-14-15-29(48-59-36(23-74-48)63(5)6)54-40(27)31-20-72-49(56-31)33-22-73-51(58-33)42(43(70-8)26-12-10-9-11-13-26)60-38(66)18-53-45(68)41-35(19-69-7)76-47(28)62-41;1-23(2)27-15-33(63)38-24(3)74-49(61-38)29(16-36(64)52-5)55-43(66)31-20-70-45(57-31)26-13-14-28(47-59-35(51-4)22-73-47)54-39(26)30-19-71-48(56-30)32-21-72-50(58-32)41(42(69-7)25-11-9-8-10-12-25)60-37(65)17-53-44(67)40-34(18-68-6)75-46(27)62-40;;/h9-15,20-24,28,30,42-43H,16-19H2,1-8H3,(H,52,65)(H,53,68)(H,55,67)(H,60,66);8-14,19-23,27,29,41-42,51H,15-18H2,1-7H3,(H,52,64)(H,53,67)(H,55,66)(H,60,65);1H4;1H
InChIKeyIAPYOYRRJRLGJI-UHFFFAOYSA-N
MW2278.94 g/mol
LogP18.69
Rot. Bonds20

About 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen

2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen (PubChem CID 158643077) has the molecular formula C102H108N24O14S12 and a molecular weight of 2278.94 g/mol. Its IUPAC name is 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen
PubChem CID158643077
Molecular FormulaC102H108N24O14S12
Molecular Weight2278.94 g/mol
Exact Mass2276.51
IUPAC Name2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen
SMILESC.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(N(C)C)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(NC)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.[H][H]
InChIInChI=1S/C51H52N12O7S6.C50H50N12O7S6.CH4.H2/c1-24(2)28-16-34(64)39-25(3)75-50(61-39)30(17-37(65)52-4)55-44(67)32-21-71-46(57-32)27-14-15-29(48-59-36(23-74-48)63(5)6)54-40(27)31-20-72-49(56-31)33-22-73-51(58-33)42(43(70-8)26-12-10-9-11-13-26)60-38(66)18-53-45(68)41-35(19-69-7)76-47(28)62-41;1-23(2)27-15-33(63)38-24(3)74-49(61-38)29(16-36(64)52-5)55-43(66)31-20-70-45(57-31)26-13-14-28(47-59-35(51-4)22-73-47)54-39(26)30-19-71-48(56-30)32-21-72-50(58-32)41(42(69-7)25-11-9-8-10-12-25)60-37(65)17-53-44(67)40-34(18-68-6)75-46(27)62-40;;/h9-15,20-24,28,30,42-43H,16-19H2,1-8H3,(H,52,65)(H,53,68)(H,55,67)(H,60,66);8-14,19-23,27,29,41-42,51H,15-18H2,1-7H3,(H,52,64)(H,53,67)(H,55,66)(H,60,65);1H4;1H
InChIKeyIAPYOYRRJRLGJI-UHFFFAOYSA-N
XLogP18.69
TPSA499.59 Ų
H-Bond Donors9
H-Bond Acceptors42
Rotatable Bonds20
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002278.94
LogP ≤ 518.69
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1042

Analyze 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen?
The IUPAC name of 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen (CID 158643077) is 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen.
What is the SMILES notation for 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen?
The canonical SMILES for 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen is C.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(N(C)C)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.CNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(NC)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(OC)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)CC(=O)c2nc1sc2C.[H][H].
What is the InChIKey of 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen?
The InChIKey is IAPYOYRRJRLGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52N12O7S6.C50H50N12O7S6.CH4.H2/c1-24(2)28-16-34(64)39-25(3)75-50(61-39)30(17-37(65)52-4)55-44(67)32-21-71-46(57-32)27-14-15-29(48-59-36(23-74-48)63(5)6)54-40(27)31-20-72-49(56-31)33-22-73-51(58-33)42(43(70-8)26-12-10-9-11-13-26)60-38(66)18-53-45(68)41-35(19-69-7)76-47(28)62-41;1-23(2)27-15-33(63)38-24(3)74-49(61-38)29(16-36(64)52-5)55-43(66)31-20-70-45(57-31)26-13-14-28(47-59-35(51-4)22-73-47)54-39(26)30-19-71-48(56-30)32-21-72-50(58-32)41(42(69-7)25-11-9-8-10-12-25)60-37(65)17-53-44(67)40-34(18-68-6)75-46(27)62-40;;/h9-15,20-24,28,30,42-43H,16-19H2,1-8H3,(H,52,65)(H,53,68)(H,55,67)(H,60,66);8-14,19-23,27,29,41-42,51H,15-18H2,1-7H3,(H,52,64)(H,53,67)(H,55,66)(H,60,65);1H4;1H.
What are the key properties of 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen?
2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen has a molecular weight of 2278.94 g/mol, XLogP of 18.69, 20 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(dimethylamino)-1,3-thiazol-2-yl]-28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;methane;2-[28-(methoxymethyl)-35-[methoxy(phenyl)methyl]-21-methyl-8-[4-(methylamino)-1,3-thiazol-2-yl]-16,23,30,33-tetraoxo-25-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]-N-methylacetamide;molecular hydrogen is sourced from PubChem (CID 158643077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).