(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

C92H101Cl2F3N14O31 — CID 59573916

IUPAC(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
SMILESCN[C@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(NCc4cccnc4)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CNCCn4ccc(NC(=O)c5ccc(OC(F)(F)F)cc5)nc4=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O
InChIInChI=1S/C92H101Cl2F3N14O31/c1-37(2)23-51(99-5)81(125)109-68-70(117)42-11-16-55(49(93)25-42)135-57-27-44-28-58(77(57)140-89-75(122)73(120)78(60(36-112)138-89)141-88-74(121)72(119)71(118)59(137-88)35-101-20-22-111-21-18-62(105-90(111)133)104-80(124)40-8-13-46(14-9-40)142-92(95,96)97)136-56-17-12-43(26-50(56)94)76(139-63-32-91(4,79(123)38(3)134-63)102-34-39-7-6-19-100-33-39)69-86(130)108-67(87(131)132)48-29-45(113)30-54(115)64(48)47-24-41(10-15-53(47)114)65(83(127)110-69)107-84(128)66(44)106-82(126)52(31-61(98)116)103-85(68)129/h6-19,21,24-30,33,37-38,51-52,59-60,63,65-76,78-79,88-89,99,101-102,112-115,117-123H,20,22-23,31-32,34-36H2,1-5H3,(H2,98,116)(H,103,129)(H,106,126)(H,107,128)(H,108,130)(H,109,125)(H,110,127)(H,131,132)(H,104,105,124,133)/t38-,51+,52-,59+,60+,63-,65+,66+,67+,68?,69-,70+,71-,72-,73+,74+,75+,76+,78+,79-,88-,89-,91-/m0/s1
InChIKeyJRPZYIGNWCKESH-ZCRRKNARSA-N
MW2026.79 g/mol
LogP1.16
Rot. Bonds26

About (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid

(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid (PubChem CID 59573916) has the molecular formula C92H101Cl2F3N14O31 and a molecular weight of 2026.79 g/mol. Its IUPAC name is (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.

Molecular Properties

Compound Name(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
PubChem CID59573916
Molecular FormulaC92H101Cl2F3N14O31
Molecular Weight2026.79 g/mol
Exact Mass2024.61
IUPAC Name(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid
SMILESCN[C@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(NCc4cccnc4)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CNCCn4ccc(NC(=O)c5ccc(OC(F)(F)F)cc5)nc4=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O
InChIInChI=1S/C92H101Cl2F3N14O31/c1-37(2)23-51(99-5)81(125)109-68-70(117)42-11-16-55(49(93)25-42)135-57-27-44-28-58(77(57)140-89-75(122)73(120)78(60(36-112)138-89)141-88-74(121)72(119)71(118)59(137-88)35-101-20-22-111-21-18-62(105-90(111)133)104-80(124)40-8-13-46(14-9-40)142-92(95,96)97)136-56-17-12-43(26-50(56)94)76(139-63-32-91(4,79(123)38(3)134-63)102-34-39-7-6-19-100-33-39)69-86(130)108-67(87(131)132)48-29-45(113)30-54(115)64(48)47-24-41(10-15-53(47)114)65(83(127)110-69)107-84(128)66(44)106-82(126)52(31-61(98)116)103-85(68)129/h6-19,21,24-30,33,37-38,51-52,59-60,63,65-76,78-79,88-89,99,101-102,112-115,117-123H,20,22-23,31-32,34-36H2,1-5H3,(H2,98,116)(H,103,129)(H,106,126)(H,107,128)(H,108,130)(H,109,125)(H,110,127)(H,131,132)(H,104,105,124,133)/t38-,51+,52-,59+,60+,63-,65+,66+,67+,68?,69-,70+,71-,72-,73+,74+,75+,76+,78+,79-,88-,89-,91-/m0/s1
InChIKeyJRPZYIGNWCKESH-ZCRRKNARSA-N
XLogP1.16
TPSA673.56 Ų
H-Bond Donors23
H-Bond Acceptors36
Rotatable Bonds26
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.79
LogP ≤ 51.16
H-Bond Donors ≤ 523
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

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

Analyze (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid?
The IUPAC name of (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid (CID 59573916) is (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid.
What is the SMILES notation for (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid?
The canonical SMILES for (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid is CN[C@H](CC(C)C)C(=O)NC1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(NCc4cccnc4)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CNCCn4ccc(NC(=O)c5ccc(OC(F)(F)F)cc5)nc4=O)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)Oc2ccc(cc2Cl)[C@H]1O.
What is the InChIKey of (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid?
The InChIKey is JRPZYIGNWCKESH-ZCRRKNARSA-N. The full InChI is InChI=1S/C92H101Cl2F3N14O31/c1-37(2)23-51(99-5)81(125)109-68-70(117)42-11-16-55(49(93)25-42)135-57-27-44-28-58(77(57)140-89-75(122)73(120)78(60(36-112)138-89)141-88-74(121)72(119)71(118)59(137-88)35-101-20-22-111-21-18-62(105-90(111)133)104-80(124)40-8-13-46(14-9-40)142-92(95,96)97)136-56-17-12-43(26-50(56)94)76(139-63-32-91(4,79(123)38(3)134-63)102-34-39-7-6-19-100-33-39)69-86(130)108-67(87(131)132)48-29-45(113)30-54(115)64(48)47-24-41(10-15-53(47)114)65(83(127)110-69)107-84(128)66(44)106-82(126)52(31-61(98)116)103-85(68)129/h6-19,21,24-30,33,37-38,51-52,59-60,63,65-76,78-79,88-89,99,101-102,112-115,117-123H,20,22-23,31-32,34-36H2,1-5H3,(H2,98,116)(H,103,129)(H,106,126)(H,107,128)(H,108,130)(H,109,125)(H,110,127)(H,131,132)(H,104,105,124,133)/t38-,51+,52-,59+,60+,63-,65+,66+,67+,68?,69-,70+,71-,72-,73+,74+,75+,76+,78+,79-,88-,89-,91-/m0/s1.
What are the key properties of (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid?
(1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid has a molecular weight of 2026.79 g/mol, XLogP of 1.16, 26 rotatable bonds, 23 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,18R,22S,25R,28R,40R)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[2-[2-oxo-4-[[4-(trifluoromethoxy)benzoyl]amino]pyrimidin-1-yl]ethylamino]methyl]oxan-2-yl]oxyoxan-2-yl]oxy-18,32,35,37-tetrahydroxy-2-[(2R,4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-(pyridin-3-ylmethylamino)oxan-2-yl]oxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8,10,12(48),14,16,29(45),30,32,34(39),35,37,46,49-pentadecaene-40-carboxylic acid is sourced from PubChem (CID 59573916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).