(3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane

C223H328F4N16O50 — CID 159036330

About (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane

(3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane (PubChem CID 159036330) has the molecular formula C223H328F4N16O50 and a molecular weight of 4109.13 g/mol. Its IUPAC name is (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane.

Molecular Properties

• Compound Name: (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane
• PubChem CID: 159036330
• Molecular Formula: C223H328F4N16O50
• Molecular Weight: 4109.13 g/mol
• Exact Mass: 4106.36
• IUPAC Name: (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane
• SMILES: C.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccc(C4CCOCC4)cc3)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccccc3)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccc(C4CCOCC4)cc3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccccc3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1
• InChI: InChI=1S/C58H84F2N4O13.C58H86N4O13.C53H76F2N4O12.C53H78N4O12.CH4/c1-34(2)28-43-53(69)74-38(7)50(66)64(15)46(33-58(10,11)60)56(72)77-48(31-40-20-22-41(23-21-40)42-24-26-73-27-25-42)52(68)62(13)44(29-35(3)4)54(70)75-37(6)49(65)63(14)45(32-57(8,9)59)55(71)76-47(51(67)61(43)12)30-39-18-16-36(5)17-19-39;1-34(2)28-45-55(67)72-40(11)52(64)60(13)48(31-37(7)8)58(70)75-50(33-42-20-22-43(23-21-42)44-24-26-71-27-25-44)54(66)62(15)46(29-35(3)4)56(68)73-39(10)51(63)59(12)47(30-36(5)6)57(69)74-49(53(65)61(45)14)32-41-18-16-38(9)17-19-41;1-31(2)25-38-48(64)68-35(7)45(61)59(15)41(30-53(10,11)55)51(67)71-43(28-37-23-21-33(5)22-24-37)47(63)57(13)39(26-32(3)4)49(65)69-34(6)44(60)58(14)40(29-52(8,9)54)50(66)70-42(46(62)56(38)12)27-36-19-17-16-18-20-36;1-31(2)25-40-50(62)66-37(11)47(59)55(13)43(28-34(7)8)53(65)69-45(30-39-23-21-35(9)22-24-39)49(61)57(15)41(26-32(3)4)51(63)67-36(10)46(58)54(12)42(27-33(5)6)52(64)68-44(48(60)56(40)14)29-38-19-17-16-18-20-38;/h16-23,34-35,37-38,42-48H,24-33H2,1-15H3;16-23,34-37,39-40,44-50H,24-33H2,1-15H3;16-24,31-32,34-35,38-43H,25-30H2,1-15H3;16-24,31-34,36-37,40-45H,25-30H2,1-15H3;1H4/t37-,38-,43+,44+,45+,46+,47-,48-;39-,40-,45+,46+,47+,48+,49-,50-;34-,35-,38+,39+,40+,41+,42-,43-;36-,37-,40+,41+,42+,43+,44-,45-;/m1111./s1
• InChIKey: JVMQXHOZBOUONW-AKBCIUEWSA-N
• XLogP: 26.69
• TPSA: 764.22 Ų
• H-Bond Acceptors: 50
• Rotatable Bonds: 50
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4109.13
LogP ≤ 5	26.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane?

The IUPAC name of (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane (CID 159036330) is (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane.

What is the SMILES notation for (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane?

The canonical SMILES for (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane is C.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccc(C4CCOCC4)cc3)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccccc3)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccc(C4CCOCC4)cc3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.Cc1ccc(C[C@H]2OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](Cc3ccccc3)OC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)OC(=O)[C@H](CC(C)C)N(C)C2=O)cc1.

What is the InChIKey of (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane?

The InChIKey is JVMQXHOZBOUONW-AKBCIUEWSA-N. The full InChI is InChI=1S/C58H84F2N4O13.C58H86N4O13.C53H76F2N4O12.C53H78N4O12.CH4/c1-34(2)28-43-53(69)74-38(7)50(66)64(15)46(33-58(10,11)60)56(72)77-48(31-40-20-22-41(23-21-40)42-24-26-73-27-25-42)52(68)62(13)44(29-35(3)4)54(70)75-37(6)49(65)63(14)45(32-57(8,9)59)55(71)76-47(51(67)61(43)12)30-39-18-16-36(5)17-19-39;1-34(2)28-45-55(67)72-40(11)52(64)60(13)48(31-37(7)8)58(70)75-50(33-42-20-22-43(23-21-42)44-24-26-71-27-25-44)54(66)62(15)46(29-35(3)4)56(68)73-39(10)51(63)59(12)47(30-36(5)6)57(69)74-49(53(65)61(45)14)32-41-18-16-38(9)17-19-41;1-31(2)25-38-48(64)68-35(7)45(61)59(15)41(30-53(10,11)55)51(67)71-43(28-37-23-21-33(5)22-24-37)47(63)57(13)39(26-32(3)4)49(65)69-34(6)44(60)58(14)40(29-52(8,9)54)50(66)70-42(46(62)56(38)12)27-36-19-17-16-18-20-36;1-31(2)25-40-50(62)66-37(11)47(59)55(13)43(28-34(7)8)53(65)69-45(30-39-23-21-35(9)22-24-39)49(61)57(15)41(26-32(3)4)51(63)67-36(10)46(58)54(12)42(27-33(5)6)52(64)68-44(48(60)56(40)14)29-38-19-17-16-18-20-38;/h16-23,34-35,37-38,42-48H,24-33H2,1-15H3;16-23,34-37,39-40,44-50H,24-33H2,1-15H3;16-24,31-32,34-35,38-43H,25-30H2,1-15H3;16-24,31-34,36-37,40-45H,25-30H2,1-15H3;1H4/t37-,38-,43+,44+,45+,46+,47-,48-;39-,40-,45+,46+,47+,48+,49-,50-;34-,35-,38+,39+,40+,41+,42-,43-;36-,37-,40+,41+,42+,43+,44-,45-;/m1111./s1.

What are the key properties of (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane?

(3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane has a molecular weight of 4109.13 g/mol, XLogP of 26.69, 50 rotatable bonds, 0 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6R,9S,12R,15S,18R,21S,24R)-12-benzyl-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-24-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-6-benzyl-4,10,12,16,22,24-hexamethyl-18-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-3,15-bis(2-fluoro-2-methylpropyl)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-9,21-bis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;(3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-12-[(4-methylphenyl)methyl]-3,9,15,21-tetrakis(2-methylpropyl)-24-[[4-(oxan-4-yl)phenyl]methyl]-1,7,13,19-tetraoxa-4,10,16,22-tetrazacyclotetracosane-2,5,8,11,14,17,20,23-octone;methane is sourced from PubChem (CID 159036330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).