ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate

C216H377N29O41 — CID 158221791

About ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate

ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 158221791) has the molecular formula C216H377N29O41 and a molecular weight of 4036.55 g/mol. Its IUPAC name is ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

• Compound Name: ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
• PubChem CID: 158221791
• Molecular Formula: C216H377N29O41
• Molecular Weight: 4036.55 g/mol
• Exact Mass: 4033.83
• IUPAC Name: ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate
• SMILES: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCC3(COC3)C2)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)C[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)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCN(C(=O)OCC)CC2)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)C[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)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)COC(=O)N(C)C2CCN(C)CC2)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)C[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
• InChI: InChI=1S/C73H128N10O14.C72H126N10O14.C71H123N9O13/c1-27-29-30-47(13)64(87)63-65(88)74-54(28-2)69(92)76(19)51(17)67(90)82(25)62(50(16)41-97-73(96)77(20)52-31-33-75(18)34-32-52)60(86)40-53(45(9)10)68(91)78(21)55(35-42(3)4)59(85)38-48(14)58(84)39-49(15)66(89)79(22)56(36-43(5)6)70(93)80(23)57(37-44(7)8)71(94)81(24)61(46(11)12)72(95)83(63)26;1-26-29-30-47(14)63(86)62-64(87)73-53(27-2)68(91)74(19)51(18)66(89)79(24)61(50(17)41-81-31-33-82(34-32-81)72(95)96-28-3)59(85)40-52(45(10)11)67(90)75(20)54(35-42(4)5)58(84)38-48(15)57(83)39-49(16)65(88)76(21)55(36-43(6)7)69(92)77(22)56(37-44(8)9)70(93)78(23)60(46(12)13)71(94)80(62)25;1-25-27-28-46(13)62(84)61-63(85)72-52(26-2)67(89)73(18)50(17)65(87)78(23)60(49(16)37-80-30-29-71(38-80)39-93-40-71)58(83)36-51(44(9)10)66(88)74(19)53(31-41(3)4)57(82)34-47(14)56(81)35-48(15)64(86)75(20)54(32-42(5)6)68(90)76(21)55(33-43(7)8)69(91)77(22)59(45(11)12)70(92)79(61)24/h27,29,42-57,61-64,87H,28,30-41H2,1-26H3,(H,74,88);26,29,42-56,60-63,86H,27-28,30-41H2,1-25H3,(H,73,87);25,27,41-55,59-62,84H,26,28-40H2,1-24H3,(H,72,85)/b29-27+;29-26+;27-25+/t47-,48-,49+,50-,51-,53+,54+,55+,56+,57+,61+,62+,63+,64-;47-,48-,49+,50-,51-,52+,53+,54+,55+,56+,60+,61+,62+,63-;46-,47-,48+,49-,50-,51+,52+,53+,54+,55+,59+,60+,61+,62-/m111/s1
• InChIKey: GDIFNSZXVGVOAH-KWZVISQVSA-N
• XLogP: 19.22
• TPSA: 806.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 44
• Rotatable Bonds: 50
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4036.55
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?

The IUPAC name of ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate (CID 158221791) is ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate.

What is the SMILES notation for ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?

The canonical SMILES for ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate is C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCC3(COC3)C2)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)C[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)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)CN2CCN(C(=O)OCC)CC2)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)C[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)N[C@@H](CC)C(=O)N(C)[C@H](C)C(=O)N(C)[C@@H]([C@H](C)COC(=O)N(C)C2CCN(C)CC2)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)C[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.

What is the InChIKey of ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?

The InChIKey is GDIFNSZXVGVOAH-KWZVISQVSA-N. The full InChI is InChI=1S/C73H128N10O14.C72H126N10O14.C71H123N9O13/c1-27-29-30-47(13)64(87)63-65(88)74-54(28-2)69(92)76(19)51(17)67(90)82(25)62(50(16)41-97-73(96)77(20)52-31-33-75(18)34-32-52)60(86)40-53(45(9)10)68(91)78(21)55(35-42(3)4)59(85)38-48(14)58(84)39-49(15)66(89)79(22)56(36-43(5)6)70(93)80(23)57(37-44(7)8)71(94)81(24)61(46(11)12)72(95)83(63)26;1-26-29-30-47(14)63(86)62-64(87)73-53(27-2)68(91)74(19)51(18)66(89)79(24)61(50(17)41-81-31-33-82(34-32-81)72(95)96-28-3)59(85)40-52(45(10)11)67(90)75(20)54(35-42(4)5)58(84)38-48(15)57(83)39-49(16)65(88)76(21)55(36-43(6)7)69(92)77(22)56(37-44(8)9)70(93)78(23)60(46(12)13)71(94)80(62)25;1-25-27-28-46(13)62(84)61-63(85)72-52(26-2)67(89)73(18)50(17)65(87)78(23)60(49(16)37-80-30-29-71(38-80)39-93-40-71)58(83)36-51(44(9)10)66(88)74(19)53(31-41(3)4)57(82)34-47(14)56(81)35-48(15)64(86)75(20)54(32-42(5)6)68(90)76(21)55(33-43(7)8)69(91)77(22)59(45(11)12)70(92)79(61)24/h27,29,42-57,61-64,87H,28,30-41H2,1-26H3,(H,74,88);26,29,42-56,60-63,86H,27-28,30-41H2,1-25H3,(H,73,87);25,27,41-55,59-62,84H,26,28-40H2,1-24H3,(H,72,85)/b29-27+;29-26+;27-25+/t47-,48-,49+,50-,51-,53+,54+,55+,56+,57+,61+,62+,63+,64-;47-,48-,49+,50-,51-,52+,53+,54+,55+,56+,60+,61+,62+,63-;46-,47-,48+,49-,50-,51+,52+,53+,54+,55+,59+,60+,61+,62-/m111/s1.

What are the key properties of ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate?

ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 4036.55 g/mol, XLogP of 19.22, 50 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[(2R)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl]piperazine-1-carboxylate;(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-20-[(2R)-1-(2-oxa-7-azaspiro[3.4]octan-7-yl)propan-2-yl]-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacontane-3,6,9,12,15,18,21,24,27,30,33-undecone;[(2S)-2-[(2S,5S,8S,11S,14S,17R,20S,23S,26S,29R,32S)-14-ethyl-11-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,16,17,19,25,29,32-decamethyl-2,5,26-tris(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-8,23-di(propan-2-yl)-1,4,7,10,13,16,19,25-octazacyclotritriacont-20-yl]propyl] N-methyl-N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 158221791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).