(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol

C128H238N22O25 — CID 158377562

IUPAC(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol
SMILESC.C.CC[C@H]1NC(=O)[C@@H]([C@@H]2OCN(C)C[C@H]2C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CNC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CO
InChIInChI=1S/C63H113N11O12.C62H113N11O12.CH4O.2CH4/c1-26-44-59(81)68(19)43(17)58(80)69(20)46(28-35(4)5)55(77)66-50(38(10)11)62(84)70(21)45(27-34(2)3)54(76)64-42(16)49(75)31-40(14)57(79)71(22)47(29-36(6)7)60(82)72(23)48(30-37(8)9)61(83)73(24)51(39(12)13)63(85)74(25)52(56(78)65-44)53-41(15)32-67(18)33-86-53;1-26-43-58(81)67(19)42(17)57(80)68(20)45(28-34(4)5)54(77)66-49(37(10)11)61(84)69(21)44(27-33(2)3)53(76)64-41(16)48(74)31-39(14)56(79)70(22)46(29-35(6)7)59(82)71(23)47(30-36(8)9)60(83)72(24)50(38(12)13)62(85)73(25)51(55(78)65-43)52(75)40(15)32-63-18;1-2;;/h34-48,50-53H,26-33H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);33-47,49-52,63,75H,26-32H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);2H,1H3;2*1H4/t40-,41-,42-,43-,44-,45-,46+,47-,48-,50-,51-,52-,53-;39-,40-,41-,42-,43-,44-,45+,46-,47-,49-,50-,51-,52-;;;/m11.../s1
InChIKeyGVJUEOIGBHBNLO-NSRDLTADSA-N
MW2485.44 g/mol
LogP7.59
Rot. Bonds27

About (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol

(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol (PubChem CID 158377562) has the molecular formula C128H238N22O25 and a molecular weight of 2485.44 g/mol. Its IUPAC name is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol.

Molecular Properties

Compound Name(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol
PubChem CID158377562
Molecular FormulaC128H238N22O25
Molecular Weight2485.44 g/mol
Exact Mass2483.80
IUPAC Name(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol
SMILESC.C.CC[C@H]1NC(=O)[C@@H]([C@@H]2OCN(C)C[C@H]2C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CNC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CO
InChIInChI=1S/C63H113N11O12.C62H113N11O12.CH4O.2CH4/c1-26-44-59(81)68(19)43(17)58(80)69(20)46(28-35(4)5)55(77)66-50(38(10)11)62(84)70(21)45(27-34(2)3)54(76)64-42(16)49(75)31-40(14)57(79)71(22)47(29-36(6)7)60(82)72(23)48(30-37(8)9)61(83)73(24)51(39(12)13)63(85)74(25)52(56(78)65-44)53-41(15)32-67(18)33-86-53;1-26-43-58(81)67(19)42(17)57(80)68(20)45(28-34(4)5)54(77)66-49(37(10)11)61(84)69(21)44(27-33(2)3)53(76)64-41(16)48(74)31-39(14)56(79)70(22)46(29-35(6)7)59(82)71(23)47(30-36(8)9)60(83)72(24)50(38(12)13)62(85)73(25)51(55(78)65-43)52(75)40(15)32-63-18;1-2;;/h34-48,50-53H,26-33H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);33-47,49-52,63,75H,26-32H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);2H,1H3;2*1H4/t40-,41-,42-,43-,44-,45-,46+,47-,48-,50-,51-,52-,53-;39-,40-,41-,42-,43-,44-,45+,46-,47-,49-,50-,51-,52-;;;/m11.../s1
InChIKeyGVJUEOIGBHBNLO-NSRDLTADSA-N
XLogP7.59
TPSA558.04 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds27
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002485.44
LogP ≤ 57.59
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol with MolForge

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Related Compounds

(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157125846
(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-4,10,12,13,15,19,22,25,28,30,33-undecamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 162257995
(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxolan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 149169858
(3R,6R,9S,12R,15R,18R,21R,24R,27S,30R,33R)-18-[(2R,3R)-5-hydroxy-3-methyloxolan-2-yl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,15,21-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157122954
(3R,6R,9S,12S,15R,18R,21R,24S,27R,30R,33R)-30-ethyl-1,4,7,10,12,15,19,25,27,28-decamethyl-33-[(2R,3R)-3-methyloxepan-2-yl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 159577810
(3R,6R,9S,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-4,10,13,19,22,25,28,30,33-nonamethyl-18-[(2R,3R)-3-methyloxepan-2-yl]-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 157125847
(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(2R,5R,8R,11S,14R,17R,20R,23S,26R,29R,32R)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-3-methylbutanal;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-4-(methylamino)butyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 162043152
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 56960588
N-[(7R,8R)-8-[(2S,5S,8R,11S,14S,17S,20S,23R,26S,29S)-5-ethyl-1,7,8,10,16,20,23,25,28,31-decamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-8-hydroxy-7-methyloctyl]acetamide
CID 154723740
[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,5R,8R,11R,14R,17R,20S,23R,26R,29R,32R)-14-ethyl-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,20,26-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacont-11-yl]propan-2-yl] methanesulfinate
CID 162253499
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S,33S)-25,30-diethyl-33-[(1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,27,28-nonamethyl-6,9,18-tris(2-methylpropyl)-3,21,24-tri(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
CID 171149023
30-ethyl-33-[1-hydroxy-2-methyl-4-(methylamino)butyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methanamine
CID 90873656

Frequently Asked Questions

What is the IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol?
The IUPAC name of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol (CID 158377562) is (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol.
What is the SMILES notation for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol?
The canonical SMILES for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol is C.C.CC[C@H]1NC(=O)[C@@H]([C@@H]2OCN(C)C[C@H]2C)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CC[C@H]1NC(=O)[C@@H]([C@H](O)[C@H](C)CNC)N(C)C(=O)[C@@H](C(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)CC(=O)[C@@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)N(C)C1=O.CO.
What is the InChIKey of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol?
The InChIKey is GVJUEOIGBHBNLO-NSRDLTADSA-N. The full InChI is InChI=1S/C63H113N11O12.C62H113N11O12.CH4O.2CH4/c1-26-44-59(81)68(19)43(17)58(80)69(20)46(28-35(4)5)55(77)66-50(38(10)11)62(84)70(21)45(27-34(2)3)54(76)64-42(16)49(75)31-40(14)57(79)71(22)47(29-36(6)7)60(82)72(23)48(30-37(8)9)61(83)73(24)51(39(12)13)63(85)74(25)52(56(78)65-44)53-41(15)32-67(18)33-86-53;1-26-43-58(81)67(19)42(17)57(80)68(20)45(28-34(4)5)54(77)66-49(37(10)11)61(84)69(21)44(27-33(2)3)53(76)64-41(16)48(74)31-39(14)56(79)70(22)46(29-35(6)7)59(82)71(23)47(30-36(8)9)60(83)72(24)50(38(12)13)62(85)73(25)51(55(78)65-43)52(75)40(15)32-63-18;1-2;;/h34-48,50-53H,26-33H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);33-47,49-52,63,75H,26-32H2,1-25H3,(H,64,76)(H,65,78)(H,66,77);2H,1H3;2*1H4/t40-,41-,42-,43-,44-,45-,46+,47-,48-,50-,51-,52-,53-;39-,40-,41-,42-,43-,44-,45+,46-,47-,49-,50-,51-,52-;;;/m11.../s1.
What are the key properties of (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol?
(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol has a molecular weight of 2485.44 g/mol, XLogP of 7.59, 27 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-18-[(5R,6R)-3,5-dimethyl-1,3-oxazinan-6-yl]-15-ethyl-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;(3R,6R,9S,12R,15R,18R,21R,24R,27R,30R,33R)-15-ethyl-18-[(1R,2R)-1-hydroxy-2-methyl-3-(methylamino)propyl]-4,10,12,13,19,22,25,28,30,33-decamethyl-3,9,24,27-tetrakis(2-methylpropyl)-6,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28-decazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone;methane;methanol is sourced from PubChem (CID 158377562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).