About 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 165095741) has the molecular formula C235H323N7O55
and a molecular weight of 4126.16 g/mol. Its IUPAC name is 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 165095741) is 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CC(=O)OCC1OC(OCCCCC(=O)CCCCCC(=O)CCOCC(COCCC(=O)CCCC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)(COCCC(=O)NCCCNC(=O)CCCCOC2OC(COC(C)=O)C(OC(C)=O)C(C)C2C)CC(=O)CCCCCCCCCCC(=O)O)C(C)C(C)C1OC(C)=O.COc1ccc(C(OCCCCCCCC(=O)C2C[C@@H](O)CN2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCCCC(=O)[C@@H]2C[C@@H](O)CN2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCCCC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1.COc1ccc(C(OCCCCCCN)(c2ccccc2)c2ccc(OC)cc2)cc1.O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is XLYSDGKIXVMGNG-HYAYDNSXSA-N. The full InChI is InChI=1S/C88H146N2O30.C41H47NO7.2C33H41NO5.C27H33NO3.C13H15NO5/c1-59-62(4)85(118-76(53-112-65(7)91)82(59)115-68(10)94)109-46-27-24-34-71(97)32-21-19-22-33-73(99)41-49-106-56-88(52-75(101)36-20-17-15-13-14-16-18-23-40-81(104)105,57-107-50-42-74(100)38-30-37-72(98)35-25-28-47-110-86-63(5)60(2)83(116-69(11)95)77(119-86)54-113-66(8)92)58-108-51-43-80(103)90-45-31-44-89-79(102)39-26-29-48-111-87-64(6)61(3)84(117-70(12)96)78(120-87)55-114-67(9)93;1-46-36-23-19-33(20-24-36)41(32-16-10-7-11-17-32,34-21-25-37(47-2)26-22-34)49-27-13-5-3-4-12-18-39(44)38-28-35(43)29-42(38)40(45)48-30-31-14-8-6-9-15-31;2*1-37-29-18-14-26(15-19-29)33(25-11-7-6-8-12-25,27-16-20-30(38-2)21-17-27)39-22-10-5-3-4-9-13-32(36)31-23-28(35)24-34-31;1-29-25-16-12-23(13-17-25)27(22-10-6-5-7-11-22,31-21-9-4-3-8-20-28)24-14-18-26(30-2)19-15-24;15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h59-64,76-78,82-87H,13-58H2,1-12H3,(H,89,102)(H,90,103)(H,104,105);6-11,14-17,19-26,35,38,43H,3-5,12-13,18,27-30H2,1-2H3;2*6-8,11-12,14-21,28,31,34-35H,3-5,9-10,13,22-24H2,1-2H3;5-7,10-19H,3-4,8-9,20-21,28H2,1-2H3;1-5,10-11,15H,6-8H2,(H,16,17)/t;35-,38+;28-,31?;28-,31+;;10-,11+/m.111.1/s1.
What are the key properties of 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 4126.16 g/mol, XLogP of 36.55, 131 rotatable bonds, 11 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[[13-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,9-dioxotridecoxy]methyl]-14-[[11-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxy-3,7-dioxoundecoxy]methyl]-15-[3-[3-[5-[5-acetyloxy-6-(acetyloxymethyl)-3,4-dimethyloxan-2-yl]oxypentanoylamino]propylamino]-3-oxopropoxy]-12-oxopentadecanoic acid;benzyl (2S,4R)-2-[8-[bis(4-methoxyphenyl)-phenylmethoxy]octanoyl]-4-hydroxypyrrolidine-1-carboxylate;6-[bis(4-methoxyphenyl)-phenylmethoxy]hexan-1-amine;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(2S,4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;8-[bis(4-methoxyphenyl)-phenylmethoxy]-1-[(4R)-4-hydroxypyrrolidin-2-yl]octan-1-one;(2S,4R)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 165095741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).