(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide

C90H124N22O18S — CID 130400281

IUPAC(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide
SMILESCCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC2=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C
InChIInChI=1S/C90H124N22O18S/c1-10-12-30-70-84(124)102-62-33-34-75(115)94-35-21-29-61(80(120)106-67(40-55-44-96-60-28-20-18-26-58(55)60)88(128)111(9)72(31-13-11-2)90(130)110(70)8)101-82(122)63(39-54-43-95-59-27-19-17-25-57(54)59)99-76(116)47-108(6)86(126)65(37-51(3)4)105-83(123)64(41-56-45-93-50-98-56)103-85(125)71-32-22-36-112(71)89(129)68(42-73(91)113)104-78(118)52(5)109(7)87(127)66(38-53-23-15-14-16-24-53)100-77(117)49-131-48-69(107-81(62)121)79(119)97-46-74(92)114/h14-20,23-28,43-45,50-52,61-72,95-96H,10-13,21-22,29-42,46-49H2,1-9H3,(H2,91,113)(H2,92,114)(H,93,98)(H,94,115)(H,97,119)(H,99,116)(H,100,117)(H,101,122)(H,102,124)(H,103,125)(H,104,118)(H,105,123)(H,106,120)(H,107,121)/t52-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
InChIKeyFOVKNKGPUKJLIU-DSMUURMMSA-N
MW1834.18 g/mol
LogP-0.70
Rot. Bonds21

About (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide

(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide (PubChem CID 130400281) has the molecular formula C90H124N22O18S and a molecular weight of 1834.18 g/mol. Its IUPAC name is (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide.

Molecular Properties

Compound Name(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide
PubChem CID130400281
Molecular FormulaC90H124N22O18S
Molecular Weight1834.18 g/mol
Exact Mass1832.92
IUPAC Name(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide
SMILESCCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC2=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C
InChIInChI=1S/C90H124N22O18S/c1-10-12-30-70-84(124)102-62-33-34-75(115)94-35-21-29-61(80(120)106-67(40-55-44-96-60-28-20-18-26-58(55)60)88(128)111(9)72(31-13-11-2)90(130)110(70)8)101-82(122)63(39-54-43-95-59-27-19-17-25-57(54)59)99-76(116)47-108(6)86(126)65(37-51(3)4)105-83(123)64(41-56-45-93-50-98-56)103-85(125)71-32-22-36-112(71)89(129)68(42-73(91)113)104-78(118)52(5)109(7)87(127)66(38-53-23-15-14-16-24-53)100-77(117)49-131-48-69(107-81(62)121)79(119)97-46-74(92)114/h14-20,23-28,43-45,50-52,61-72,95-96H,10-13,21-22,29-42,46-49H2,1-9H3,(H2,91,113)(H2,92,114)(H,93,98)(H,94,115)(H,97,119)(H,99,116)(H,100,117)(H,101,122)(H,102,124)(H,103,125)(H,104,118)(H,105,123)(H,106,120)(H,107,121)/t52-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1
InChIKeyFOVKNKGPUKJLIU-DSMUURMMSA-N
XLogP-0.70
TPSA568.09 Ų
H-Bond Donors16
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.18
LogP ≤ 5-0.70
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1020

Analyze (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide with MolForge

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Related Compounds

2-[(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-3-(2-amino-2-oxoethyl)-15-[(2-amino-2-oxoethyl)carbamoyl]-9-benzyl-21,24-dibutyl-30-(2-hydroxyethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontan-18-yl]acetic acid
CID 134213842
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,26,29,32,35,38,41,44-tridecaoxo-18-propyl-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 146243491
(3S,6S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S)-N,15-bis(2-amino-2-oxoethyl)-33,36-dibutyl-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-3-(2-methylpropyl)-2,5,8,14,17,20,23,29,32,35,38,41,44,47-tetradecaoxo-30,42-bis(prop-2-enyl)-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
CID 121390307
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39R,42R,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18,30-bis(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,22,25,28,34,37-decazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 147872979
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33R,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30,42-bis(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,37,40,43-tridecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 158362780
N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide;2,2,2-trifluoroacetic acid
CID 171324778
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N-(2-amino-2-oxoethyl)-9-benzyl-21-butyl-18-(3-carbamimidamidopropyl)-3,30-bis(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-24-pentyl-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 134213736
(3S,9S,15R,18S,21S,24S,27S,30S,33S,36S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-36,42-bis(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25-tetramethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 121386339
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-21,24-dibutyl-18-(3-carbamimidamidopropyl)-9-[(3-chlorophenyl)methyl]-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 121390311
(3S,6S,9S,15S,18S,21S,27R,30S,33S,36S,39S,42S,45S,48S)-N,15-bis(2-amino-2-oxoethyl)-3-(3-amino-3-oxopropyl)-33,36-dibutyl-42-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-6-(1H-imidazol-5-ylmethyl)-39,45-bis(1H-indol-3-ylmethyl)-18,19,34,37-tetramethyl-30-(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
CID 123727548
(3S,6S,9S,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-9-benzyl-39-butan-2-yl-21,24-dibutyl-18-(3-carbamimidamidopropyl)-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 148627761
(3S,6S,9S,15R,18S,21S,24S,27S,30S,33S,39S,42S,45S)-N,3-bis(2-amino-2-oxoethyl)-21,24-dibutyl-18-(3-carbamimidamidopropyl)-9-[(3,4-dichlorophenyl)methyl]-30-(hydroxymethyl)-42-(1H-imidazol-5-ylmethyl)-27,33-bis(1H-indol-3-ylmethyl)-6,7,22,25,37-pentamethyl-39-(2-methylpropyl)-2,5,8,11,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-13-thia-1,4,7,10,16,19,22,25,28,31,34,37,40,43-tetradecazabicyclo[43.3.0]octatetracontane-15-carboxamide
CID 121390187

Frequently Asked Questions

What is the IUPAC name of (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide?
The IUPAC name of (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide (CID 130400281) is (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide.
What is the SMILES notation for (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide?
The canonical SMILES for (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide is CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@H]2CCC(=O)NCCC[C@H](NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccccc3)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC2=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C.
What is the InChIKey of (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide?
The InChIKey is FOVKNKGPUKJLIU-DSMUURMMSA-N. The full InChI is InChI=1S/C90H124N22O18S/c1-10-12-30-70-84(124)102-62-33-34-75(115)94-35-21-29-61(80(120)106-67(40-55-44-96-60-28-20-18-26-58(55)60)88(128)111(9)72(31-13-11-2)90(130)110(70)8)101-82(122)63(39-54-43-95-59-27-19-17-25-57(54)59)99-76(116)47-108(6)86(126)65(37-51(3)4)105-83(123)64(41-56-45-93-50-98-56)103-85(125)71-32-22-36-112(71)89(129)68(42-73(91)113)104-78(118)52(5)109(7)87(127)66(38-53-23-15-14-16-24-53)100-77(117)49-131-48-69(107-81(62)121)79(119)97-46-74(92)114/h14-20,23-28,43-45,50-52,61-72,95-96H,10-13,21-22,29-42,46-49H2,1-9H3,(H2,91,113)(H2,92,114)(H,93,98)(H,94,115)(H,97,119)(H,99,116)(H,100,117)(H,101,122)(H,102,124)(H,103,125)(H,104,118)(H,105,123)(H,106,120)(H,107,121)/t52-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1.
What are the key properties of (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide?
(1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide has a molecular weight of 1834.18 g/mol, XLogP of -0.70, 21 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S,10S,13S,16S,22S,25S,28S,34R,37S,40S,43S,46S)-N,22-bis(2-amino-2-oxoethyl)-28-benzyl-40,43-dibutyl-13-(1H-imidazol-5-ylmethyl)-4,46-bis(1H-indol-3-ylmethyl)-8,25,26,41,44-pentamethyl-10-(2-methylpropyl)-3,6,9,12,15,21,24,27,30,36,39,42,45,48,53-pentadecaoxo-32-thia-2,5,8,11,14,20,23,26,29,35,38,41,44,47,52-pentadecazatricyclo[35.11.7.016,20]pentapentacontane-34-carboxamide is sourced from PubChem (CID 130400281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).