About lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide
lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide (PubChem CID 159424658) has the molecular formula C191H238F8LiN17O57S3
and a molecular weight of 3939.19 g/mol. Its IUPAC name is lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide?
The IUPAC name of lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide (CID 159424658) is lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide.
What is the SMILES notation for lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide?
The canonical SMILES for lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide is CCCC(=O)Cc1cc(COC(=O)NCC2CN(S(=O)(=O)c3cccc(-c4ccc5c(c4)N=C(N)CC(C(=O)N(CCC)CCC)=C5)c3)C2)ccc1O[C@@H]1O[C@H](C(C)=O)[C@@H](C)[C@H](OC(C)=O)[C@H]1OC(C)=O.CCCC(=O)Cc1cc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1O[C@@H]1O[C@H](C(C)=O)[C@@H](C)[C@H](OC(C)=O)[C@H]1OC(C)=O.CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(S(=O)(=O)N4CC(CN)C4)c3)cc2N=C(N)C1.CCCN(CCC)C(=O)C1=Cc2ccc(-c3cccc(S(=O)(=O)N4CC(CNC(=O)OCc5ccc(O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)c(CC(=O)CCN)c5)C4)c3)cc2N=C(N)C1.O=C(CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F)Oc1c(F)c(F)cc(F)c1F.[Li+].[OH-].
What is the InChIKey of lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide?
The InChIKey is LQEUPAFAIPLZIT-PQYNYOFPSA-M. The full InChI is InChI=1S/C52H65N5O13S.C45H56N6O13S.C36H46F8O14.C31H35NO13.C27H35N5O3S.Li.H2O/c1-8-12-42(61)23-40-21-35(15-18-45(40)69-51-49(68-34(7)60)48(67-33(6)59)31(4)47(70-51)32(5)58)30-66-52(63)54-27-36-28-57(29-36)71(64,65)43-14-11-13-37(24-43)38-16-17-39-22-41(26-46(53)55-44(39)25-38)50(62)56(19-9-2)20-10-3;1-3-14-50(15-4-2)42(56)32-17-30-10-9-29(20-35(30)49-37(47)21-32)28-6-5-7-34(19-28)65(60,61)51-23-27(24-51)22-48-45(59)62-25-26-8-11-36(31(16-26)18-33(52)12-13-46)63-44-40(55)38(53)39(54)41(64-44)43(57)58;37-25-23-26(38)32(42)35(31(25)41)57-29(45)1-3-47-5-7-49-9-11-51-13-15-53-17-19-55-21-22-56-20-18-54-16-14-52-12-10-50-8-6-48-4-2-30(46)58-36-33(43)27(39)24-28(40)34(36)44;1-6-7-24(36)15-22-14-21(16-40-31(37)43-25-11-9-23(10-12-25)32(38)39)8-13-26(22)44-30-29(42-20(5)35)28(41-19(4)34)17(2)27(45-30)18(3)33;1-3-10-31(11-4-2)27(33)23-12-22-9-8-21(14-25(22)30-26(29)15-23)20-6-5-7-24(13-20)36(34,35)32-17-19(16-28)18-32;;/h11,13-18,21-22,24-25,31,36,47-49,51H,8-10,12,19-20,23,26-30H2,1-7H3,(H2,53,55)(H,54,63);5-11,16-17,19-20,27,38-41,44,53-55H,3-4,12-15,18,21-25,46H2,1-2H3,(H2,47,49)(H,48,59)(H,57,58);23-24H,1-22H2;8-14,17,27-30H,6-7,15-16H2,1-5H3;5-9,12-14,19H,3-4,10-11,15-18,28H2,1-2H3,(H2,29,30);;1H2/q;;;;;+1;/p-1/t31-,47+,48+,49-,51-;38-,39-,40+,41-,44+;;17-,27+,28+,29-,30-;;;/m10.1.../s1.
What are the key properties of lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide?
lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide has a molecular weight of 3939.19 g/mol, XLogP of 17.34, 97 rotatable bonds, 11 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(2-oxopentyl)phenoxy]-3-methyloxan-4-yl] acetate;[(2S,3S,4S,5R,6S)-2-acetyl-5-acetyloxy-3-methyl-6-[4-[(4-nitrophenoxy)carbonyloxymethyl]-2-(2-oxopentyl)phenoxy]oxan-4-yl] acetate;2-amino-8-[3-[3-(aminomethyl)azetidin-1-yl]sulfonylphenyl]-N,N-dipropyl-3H-1-benzazepine-4-carboxamide;(2S,3S,4S,5R,6S)-6-[4-[[1-[3-[2-amino-4-(dipropylcarbamoyl)-3H-1-benzazepin-8-yl]phenyl]sulfonylazetidin-3-yl]methylcarbamoyloxymethyl]-2-(4-amino-2-oxobutyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;(2,3,5,6-tetrafluorophenyl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-oxo-3-(2,3,5,6-tetrafluorophenoxy)propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;hydroxide is sourced from PubChem (CID 159424658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).