(2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane

C155H270N18O29S3 — CID 159183145

About (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane

(2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane (PubChem CID 159183145) has the molecular formula C155H270N18O29S3 and a molecular weight of 2946.16 g/mol. Its IUPAC name is (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane.

Molecular Properties

• Compound Name: (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane
• PubChem CID: 159183145
• Molecular Formula: C155H270N18O29S3
• Molecular Weight: 2946.16 g/mol
• Exact Mass: 2943.94
• IUPAC Name: (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane
• SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)CC(=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.C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](SCCCN2CCOCC2)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.C1CCOC1.Cc1ccc(S(=O)(=O)SCCCN2CCOCC2)cc1
• InChI: InChI=1S/C72H127N9O13S.C65H114N8O12.C14H21NO3S2.C4H8O/c1-25-27-29-49(15)63(85)62-60(84)41-52(26-2)66(88)80(24)72(95-35-28-30-81-31-33-94-34-32-81)71(93)75(19)55(37-44(5)6)59(83)42-53(47(11)12)67(89)74(18)54(36-43(3)4)58(82)40-50(16)64(86)73-51(17)65(87)76(20)56(38-45(7)8)68(90)77(21)57(39-46(9)10)69(91)78(22)61(48(13)14)70(92)79(62)23;1-25-27-28-43(15)58(78)57-54(76)34-46(26-2)61(81)67(18)36-55(77)68(19)48(29-37(3)4)53(75)35-47(41(11)12)62(82)69(20)49(30-38(5)6)52(74)33-44(16)59(79)66-45(17)60(80)70(21)50(31-39(7)8)63(83)71(22)51(32-40(9)10)64(84)72(23)56(42(13)14)65(85)73(57)24;1-13-3-5-14(6-4-13)20(16,17)19-12-2-7-15-8-10-18-11-9-15;1-2-4-5-3-1/h25,27,43-57,61-63,72,85H,26,28-42H2,1-24H3,(H,73,86);25,27,37-51,56-58,78H,26,28-36H2,1-24H3,(H,66,79);3-6H,2,7-12H2,1H3;1-4H2/b2*27-25+;;/t49-,50+,51+,52+,53-,54-,55+,56-,57+,61-,62+,63-,72-;43-,44+,45+,46+,47-,48+,49-,50-,51+,56-,57+,58-;;/m11../s1
• InChIKey: KNDPINULDLUEAL-HDZNAKINSA-N
• XLogP: 16.80
• TPSA: 553.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 33
• Rotatable Bonds: 41
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.16
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane?

The IUPAC name of (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane (CID 159183145) is (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane.

What is the SMILES notation for (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane?

The canonical SMILES for (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane is C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)CC(=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.C/C=C/C[C@@H](C)[C@@H](O)[C@@H]1C(=O)C[C@H](CC)C(=O)N(C)[C@H](SCCCN2CCOCC2)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.C1CCOC1.Cc1ccc(S(=O)(=O)SCCCN2CCOCC2)cc1.

What is the InChIKey of (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane?

The InChIKey is KNDPINULDLUEAL-HDZNAKINSA-N. The full InChI is InChI=1S/C72H127N9O13S.C65H114N8O12.C14H21NO3S2.C4H8O/c1-25-27-29-49(15)63(85)62-60(84)41-52(26-2)66(88)80(24)72(95-35-28-30-81-31-33-94-34-32-81)71(93)75(19)55(37-44(5)6)59(83)42-53(47(11)12)67(89)74(18)54(36-43(3)4)58(82)40-50(16)64(86)73-51(17)65(87)76(20)56(38-45(7)8)68(90)77(21)57(39-46(9)10)69(91)78(22)61(48(13)14)70(92)79(62)23;1-25-27-28-43(15)58(78)57-54(76)34-46(26-2)61(81)67(18)36-55(77)68(19)48(29-37(3)4)53(75)35-47(41(11)12)62(82)69(20)49(30-38(5)6)52(74)33-44(16)59(79)66-45(17)60(80)70(21)50(31-39(7)8)63(83)71(22)51(32-40(9)10)64(84)72(23)56(42(13)14)65(85)73(57)24;1-13-3-5-14(6-4-13)20(16,17)19-12-2-7-15-8-10-18-11-9-15;1-2-4-5-3-1/h25,27,43-57,61-63,72,85H,26,28-42H2,1-24H3,(H,73,86);25,27,37-51,56-58,78H,26,28-36H2,1-24H3,(H,66,79);3-6H,2,7-12H2,1H3;1-4H2/b2*27-25+;;/t49-,50+,51+,52+,53-,54-,55+,56-,57+,61-,62+,63-,72-;43-,44+,45+,46+,47-,48+,49-,50-,51+,56-,57+,58-;;/m11../s1.

What are the key properties of (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane?

(2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane has a molecular weight of 2946.16 g/mol, XLogP of 16.80, 41 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R,8S,11R,14R,17S,23S,26R,29R,32S)-17-ethyl-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,8S,11R,14R,17S,20R,23S,26R,29R,32S)-17-ethyl-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)-20-(3-morpholin-4-ylpropylsulfanyl)-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;4-[3-(4-methylphenyl)sulfonylsulfanylpropyl]morpholine;oxolane is sourced from PubChem (CID 159183145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).