(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide

C180H260N38O36S2 — CID 162152618

About (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide

(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide (PubChem CID 162152618) has the molecular formula C180H260N38O36S2 and a molecular weight of 3596.42 g/mol. Its IUPAC name is (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide.

Molecular Properties

• Compound Name: (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide
• PubChem CID: 162152618
• Molecular Formula: C180H260N38O36S2
• Molecular Weight: 3596.42 g/mol
• Exact Mass: 3593.91
• IUPAC Name: (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide
• SMILES: CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C.CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)NC2(CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C
• InChI: InChI=1S/C90H129N19O18S.C90H131N19O18S/c1-12-15-26-70-82(120)99-64(38-50(4)5)80(118)103-69(77(115)95-46-74(92)112)48-128-49-75(113)96-67(40-53-29-31-56(110)32-30-53)85(123)105(9)52(8)76(114)104-90(34-35-90)89(127)108-37-21-28-71(108)83(121)97-60(14-3)78(116)101-66(39-51(6)7)87(125)109-47-57(111)43-73(109)84(122)100-65(41-54-44-93-61-24-19-17-22-58(54)61)81(119)98-63(33-36-91)79(117)102-68(42-55-45-94-62-25-20-18-23-59(55)62)86(124)107(11)72(27-16-13-2)88(126)106(70)10;1-14-17-28-70-82(120)99-64(38-50(4)5)80(118)103-69(77(115)95-46-74(92)112)48-128-49-75(113)96-67(40-53-31-33-56(110)34-32-53)85(123)105(11)52(8)76(114)104-90(9,10)89(127)108-37-23-30-71(108)83(121)97-60(16-3)78(116)101-66(39-51(6)7)87(125)109-47-57(111)43-73(109)84(122)100-65(41-54-44-93-61-26-21-19-24-58(54)61)81(119)98-63(35-36-91)79(117)102-68(42-55-45-94-62-27-22-20-25-59(55)62)86(124)107(13)72(29-18-15-2)88(126)106(70)12/h17-20,22-25,29-32,44-45,50-52,57,60,63-73,93-94,110-111H,12-16,21,26-28,33-43,46-49,91H2,1-11H3,(H2,92,112)(H,95,115)(H,96,113)(H,97,121)(H,98,119)(H,99,120)(H,100,122)(H,101,116)(H,102,117)(H,103,118)(H,104,114);19-22,24-27,31-34,44-45,50-52,57,60,63-73,93-94,110-111H,14-18,23,28-30,35-43,46-49,91H2,1-13H3,(H2,92,112)(H,95,115)(H,96,113)(H,97,121)(H,98,119)(H,99,120)(H,100,122)(H,101,116)(H,102,117)(H,103,118)(H,104,114)/t2*52-,57+,60-,63-,64-,65?,66-,67-,68-,69-,70-,71-,72-,73-/m00/s1
• InChIKey: ZLKJHQDMDZSEHZ-FVWVAXQVSA-N
• XLogP: 2.13
• TPSA: 1067.40 Ų
• H-Bond Donors: 32
• H-Bond Acceptors: 40
• Rotatable Bonds: 44
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3596.42
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	32
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide?

The IUPAC name of (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide (CID 162152618) is (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide.

What is the SMILES notation for (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide?

The canonical SMILES for (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide is CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C.CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(C)[C@@H](C)C(=O)NC2(CC2)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC)C(=O)N[C@@H](CC(C)C)C(=O)N2C[C@H](O)C[C@H]2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C.

What is the InChIKey of (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide?

The InChIKey is ZLKJHQDMDZSEHZ-FVWVAXQVSA-N. The full InChI is InChI=1S/C90H129N19O18S.C90H131N19O18S/c1-12-15-26-70-82(120)99-64(38-50(4)5)80(118)103-69(77(115)95-46-74(92)112)48-128-49-75(113)96-67(40-53-29-31-56(110)32-30-53)85(123)105(9)52(8)76(114)104-90(34-35-90)89(127)108-37-21-28-71(108)83(121)97-60(14-3)78(116)101-66(39-51(6)7)87(125)109-47-57(111)43-73(109)84(122)100-65(41-54-44-93-61-24-19-17-22-58(54)61)81(119)98-63(33-36-91)79(117)102-68(42-55-45-94-62-25-20-18-23-59(55)62)86(124)107(11)72(27-16-13-2)88(126)106(70)10;1-14-17-28-70-82(120)99-64(38-50(4)5)80(118)103-69(77(115)95-46-74(92)112)48-128-49-75(113)96-67(40-53-31-33-56(110)34-32-53)85(123)105(11)52(8)76(114)104-90(9,10)89(127)108-37-23-30-71(108)83(121)97-60(16-3)78(116)101-66(39-51(6)7)87(125)109-47-57(111)43-73(109)84(122)100-65(41-54-44-93-61-26-21-19-24-58(54)61)81(119)98-63(35-36-91)79(117)102-68(42-55-45-94-62-27-22-20-25-59(55)62)86(124)107(13)72(29-18-15-2)88(126)106(70)12/h17-20,22-25,29-32,44-45,50-52,57,60,63-73,93-94,110-111H,12-16,21,26-28,33-43,46-49,91H2,1-11H3,(H2,92,112)(H,95,115)(H,96,113)(H,97,121)(H,98,119)(H,99,120)(H,100,122)(H,101,116)(H,102,117)(H,103,118)(H,104,114);19-22,24-27,31-34,44-45,50-52,57,60,63-73,93-94,110-111H,14-18,23,28-30,35-43,46-49,91H2,1-13H3,(H2,92,112)(H,95,115)(H,96,113)(H,97,121)(H,98,119)(H,99,120)(H,100,122)(H,101,116)(H,102,117)(H,103,118)(H,104,114)/t2*52-,57+,60-,63-,64-,65?,66-,67-,68-,69-,70-,71-,72-,73-/m00/s1.

What are the key properties of (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide?

(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide has a molecular weight of 3596.42 g/mol, XLogP of 2.13, 44 rotatable bonds, 32 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-15,15,18,19,34,37-hexamethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-27-carboxamide;(3S,6S,9S,18S,21S,27R,30S,33S,36S,39S,42S,48S,50R)-42-(2-aminoethyl)-N-(2-amino-2-oxoethyl)-33,36-dibutyl-6-ethyl-50-hydroxy-21-[(4-hydroxyphenyl)methyl]-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3,30-bis(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxospiro[25-thia-1,4,7,13,16,19,22,28,31,34,37,40,43,46-tetradecazatricyclo[46.3.0.09,13]henpentacontane-15,1'-cyclopropane]-27-carboxamide is sourced from PubChem (CID 162152618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).