(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide

C121H148ClN21O40 — CID 135798212

IUPAC(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3c2)[C@@H](C(N)=O)OC(=O)[C@@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C121H148ClN21O40/c1-54(2)46-77-107(166)128-55(3)103(162)142-93(67-32-43-80(153)74(122)49-67)119(178)182-100(102(126)161)94(143-109(168)79(50-83(125)154)132-104(163)68-21-20-60-16-10-11-17-66(60)48-68)118(177)141-89(62-24-35-70(150)36-25-62)114(173)131-76(19-13-45-124)105(164)134-86(57(5)147)112(171)139-92(64-28-39-72(152)40-29-64)117(176)140-91(63-26-37-71(151)38-27-63)116(175)135-85(56(4)146)111(170)133-78(47-59-14-8-7-9-15-59)108(167)130-75(18-12-44-123)106(165)137-90(115(174)136-87(58(6)148)113(172)138-88(61-22-33-69(149)34-23-61)110(169)127-51-84(155)129-77)65-30-41-73(42-31-65)179-121-101(98(159)96(157)82(53-145)181-121)183-120-99(160)97(158)95(156)81(52-144)180-120/h7-11,14-17,20-43,48-49,54-58,75-79,81-82,85-101,120-121,144-153,156-160H,12-13,18-19,44-47,50-53,123-124H2,1-6H3,(H2,125,154)(H2,126,161)(H,127,169)(H,128,166)(H,129,155)(H,130,167)(H,131,173)(H,132,163)(H,133,170)(H,134,164)(H,135,175)(H,136,174)(H,137,165)(H,138,172)(H,139,171)(H,140,176)(H,141,177)(H,142,162)(H,143,168)/t55-,56-,57-,58-,75-,76-,77+,78+,79+,81-,82-,85+,86-,87-,88-,89-,90+,91-,92+,93-,94+,95-,96-,97+,98+,99+,100+,101+,120-,121+/m1/s1
InChIKeyICMUZLBIYGGZHZ-OZEZAGISSA-N
MW2572.07 g/mol
LogP-7.04
Rot. Bonds32

About (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide

(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide (PubChem CID 135798212) has the molecular formula C121H148ClN21O40 and a molecular weight of 2572.07 g/mol. Its IUPAC name is (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide.

Molecular Properties

Compound Name(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide
PubChem CID135798212
Molecular FormulaC121H148ClN21O40
Molecular Weight2572.07 g/mol
Exact Mass2569.99
IUPAC Name(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3c2)[C@@H](C(N)=O)OC(=O)[C@@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O
InChIInChI=1S/C121H148ClN21O40/c1-54(2)46-77-107(166)128-55(3)103(162)142-93(67-32-43-80(153)74(122)49-67)119(178)182-100(102(126)161)94(143-109(168)79(50-83(125)154)132-104(163)68-21-20-60-16-10-11-17-66(60)48-68)118(177)141-89(62-24-35-70(150)36-25-62)114(173)131-76(19-13-45-124)105(164)134-86(57(5)147)112(171)139-92(64-28-39-72(152)40-29-64)117(176)140-91(63-26-37-71(151)38-27-63)116(175)135-85(56(4)146)111(170)133-78(47-59-14-8-7-9-15-59)108(167)130-75(18-12-44-123)106(165)137-90(115(174)136-87(58(6)148)113(172)138-88(61-22-33-69(149)34-23-61)110(169)127-51-84(155)129-77)65-30-41-73(42-31-65)179-121-101(98(159)96(157)82(53-145)181-121)183-120-99(160)97(158)95(156)81(52-144)180-120/h7-11,14-17,20-43,48-49,54-58,75-79,81-82,85-101,120-121,144-153,156-160H,12-13,18-19,44-47,50-53,123-124H2,1-6H3,(H2,125,154)(H2,126,161)(H,127,169)(H,128,166)(H,129,155)(H,130,167)(H,131,173)(H,132,163)(H,133,170)(H,134,164)(H,135,175)(H,136,174)(H,137,165)(H,138,172)(H,139,171)(H,140,176)(H,141,177)(H,142,162)(H,143,168)/t55-,56-,57-,58-,75-,76-,77+,78+,79+,81-,82-,85+,86-,87-,88-,89-,90+,91-,92+,93-,94+,95-,96-,97+,98+,99+,100+,101+,120-,121+/m1/s1
InChIKeyICMUZLBIYGGZHZ-OZEZAGISSA-N
XLogP-7.04
TPSA999.59 Ų
H-Bond Donors36
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002572.07
LogP ≤ 5-7.04
H-Bond Donors ≤ 536
H-Bond Acceptors ≤ 1042

Analyze (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide?
The IUPAC name of (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide (CID 135798212) is (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide.
What is the SMILES notation for (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide?
The canonical SMILES for (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide is CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc2)NC(=O)[C@@H](CCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@H](c2ccc(O)cc2)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](c2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c2ccc3ccccc3c2)[C@@H](C(N)=O)OC(=O)[C@@H](c2ccc(O)c(Cl)c2)NC(=O)[C@@H](C)NC1=O.
What is the InChIKey of (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide?
The InChIKey is ICMUZLBIYGGZHZ-OZEZAGISSA-N. The full InChI is InChI=1S/C121H148ClN21O40/c1-54(2)46-77-107(166)128-55(3)103(162)142-93(67-32-43-80(153)74(122)49-67)119(178)182-100(102(126)161)94(143-109(168)79(50-83(125)154)132-104(163)68-21-20-60-16-10-11-17-66(60)48-68)118(177)141-89(62-24-35-70(150)36-25-62)114(173)131-76(19-13-45-124)105(164)134-86(57(5)147)112(171)139-92(64-28-39-72(152)40-29-64)117(176)140-91(63-26-37-71(151)38-27-63)116(175)135-85(56(4)146)111(170)133-78(47-59-14-8-7-9-15-59)108(167)130-75(18-12-44-123)106(165)137-90(115(174)136-87(58(6)148)113(172)138-88(61-22-33-69(149)34-23-61)110(169)127-51-84(155)129-77)65-30-41-73(42-31-65)179-121-101(98(159)96(157)82(53-145)181-121)183-120-99(160)97(158)95(156)81(52-144)180-120/h7-11,14-17,20-43,48-49,54-58,75-79,81-82,85-101,120-121,144-153,156-160H,12-13,18-19,44-47,50-53,123-124H2,1-6H3,(H2,125,154)(H2,126,161)(H,127,169)(H,128,166)(H,129,155)(H,130,167)(H,131,173)(H,132,163)(H,133,170)(H,134,164)(H,135,175)(H,136,174)(H,137,165)(H,138,172)(H,139,171)(H,140,176)(H,141,177)(H,142,162)(H,143,168)/t55-,56-,57-,58-,75-,76-,77+,78+,79+,81-,82-,85+,86-,87-,88-,89-,90+,91-,92+,93-,94+,95-,96-,97+,98+,99+,100+,101+,120-,121+/m1/s1.
What are the key properties of (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide?
(2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide has a molecular weight of 2572.07 g/mol, XLogP of -7.04, 32 rotatable bonds, 36 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R,6R,9S,15R,18R,21R,24R,27S,30S,33R,36S,39R,42R,45R,48S,49S)-24,42-bis(3-aminopropyl)-27-benzyl-49-carbamoyl-3-(3-chloro-4-hydroxyphenyl)-21-[4-[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyphenyl]-18,30,39-tris[(1R)-1-hydroxyethyl]-15,33,36,45-tetrakis(4-hydroxyphenyl)-6-methyl-9-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47-hexadecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46-pentadecazacyclononatetracont-48-yl]-2-(naphthalene-2-carbonylamino)butanediamide is sourced from PubChem (CID 135798212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).