(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

C134H237N17O27 — CID 157077224

About (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone

(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (PubChem CID 157077224) has the molecular formula C134H237N17O27 and a molecular weight of 2518.46 g/mol. Its IUPAC name is (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

Molecular Properties

• Compound Name: (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• PubChem CID: 157077224
• Molecular Formula: C134H237N17O27
• Molecular Weight: 2518.46 g/mol
• Exact Mass: 2516.77
• IUPAC Name: (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone
• SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C.CC[C@H]1CC(=O)[C@@H]([C@H](O)[C@H](C)CCN2CCOCC2)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)NC(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CO)N(C)C1=O
• InChI: InChI=1S/C68H121N9O14.C66H116N8O13/c1-24-48-36-57(81)59(60(82)45(14)25-26-77-27-29-91-30-28-77)76(23)68(90)58(44(12)13)75(22)66(88)53(34-42(8)9)73(20)65(87)52(33-41(6)7)72(19)62(84)47(16)69-61(83)46(15)35-55(79)50(31-39(2)3)70(17)64(86)49(43(10)11)37-56(80)51(32-40(4)5)71(18)67(89)54(38-78)74(21)63(48)85;1-25-27-28-43(15)58(79)57-55(78)34-46(26-2)61(82)72(22)52(36-75)65(86)69(19)49(30-38(5)6)54(77)35-47(41(11)12)62(83)68(18)48(29-37(3)4)53(76)33-44(16)59(80)67-45(17)60(81)70(20)50(31-39(7)8)63(84)71(21)51(32-40(9)10)64(85)73(23)56(42(13)14)66(87)74(57)24/h39-54,58-60,78,82H,24-38H2,1-23H3,(H,69,83);25,27,37-52,56-58,75,79H,26,28-36H2,1-24H3,(H,67,80)/b;27-25+/t45-,46+,47+,48+,49-,50-,51+,52-,53-,54-,58-,59+,60-;43-,44+,45+,46+,47-,48-,49+,50-,51-,52-,56-,57+,58-/m11/s1
• InChIKey: ADCMMYNBRYBBFW-VXTLADCASA-N
• XLogP: 10.56
• TPSA: 538.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2518.46
LogP ≤ 5	10.56
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The IUPAC name of (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone (CID 157077224) is (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone.

What is the SMILES notation for (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The canonical SMILES for (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)C[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N(C)[C@H](C(C)C)C(=O)N1C.CC[C@H]1CC(=O)[C@@H]([C@H](O)[C@H](C)CCN2CCOCC2)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)NC(=O)[C@@H](C)CC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C(C)C)CC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](CO)N(C)C1=O.

What is the InChIKey of (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

The InChIKey is ADCMMYNBRYBBFW-VXTLADCASA-N. The full InChI is InChI=1S/C68H121N9O14.C66H116N8O13/c1-24-48-36-57(81)59(60(82)45(14)25-26-77-27-29-91-30-28-77)76(23)68(90)58(44(12)13)75(22)66(88)53(34-42(8)9)73(20)65(87)52(33-41(6)7)72(19)62(84)47(16)69-61(83)46(15)35-55(79)50(31-39(2)3)70(17)64(86)49(43(10)11)37-56(80)51(32-40(4)5)71(18)67(89)54(38-78)74(21)63(48)85;1-25-27-28-43(15)58(79)57-55(78)34-46(26-2)61(82)72(22)52(36-75)65(86)69(19)49(30-38(5)6)54(77)35-47(41(11)12)62(83)68(18)48(29-37(3)4)53(76)33-44(16)59(80)67-45(17)60(81)70(20)50(31-39(7)8)63(84)71(21)51(32-40(9)10)64(85)73(23)56(42(13)14)66(87)74(57)24/h39-54,58-60,78,82H,24-38H2,1-23H3,(H,69,83);25,27,37-52,56-58,75,79H,26,28-36H2,1-24H3,(H,67,80)/b;27-25+/t45-,46+,47+,48+,49-,50-,51+,52-,53-,54-,58-,59+,60-;43-,44+,45+,46+,47-,48-,49+,50-,51-,52-,56-,57+,58-/m11/s1.

What are the key properties of (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone?

(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone has a molecular weight of 2518.46 g/mol, XLogP of 10.56, 33 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;(2S,5R,8R,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-20-(hydroxymethyl)-14-[(1R,2R)-1-hydroxy-2-methyl-4-morpholin-4-ylbutyl]-2,4,7,10,13,19,22,28,32-nonamethyl-5,8,23,29-tetrakis(2-methylpropyl)-11,26-di(propan-2-yl)-1,4,7,10,13,19,22,28-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone is sourced from PubChem (CID 157077224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).