About lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride
lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride (PubChem CID 167708445) has the molecular formula C180H221ClILiN22O30
and a molecular weight of 3342.17 g/mol. Its IUPAC name is lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride.
Frequently Asked Questions
What is the IUPAC name of lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride?
The IUPAC name of lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride (CID 167708445) is lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride.
What is the SMILES notation for lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride?
The canonical SMILES for lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride is C=CCCCC(=O)CC[C@@]12C[C@@H](C(=O)Cc3nc(C)ccc3C)N(C(=O)Cn3nc(C(C)=O)c4cc(OC)cc(CC=C)c43)[C@@H]1C2.C=CCCCC(=O)CC[C@@]12C[C@@H](C(=O)Cc3nc(C)ccc3C)N[C@@H]1C2.C=CCc1cc(O)cc2c(C(C)=O)nn(CC(=O)OC(C)(C)C)c12.C=CCc1cc(OC)cc2c(C(C)=O)nn(CC(=O)O)c12.C=CCc1cc(OC)cc2c(C(C)=O)nn(CC(=O)OC(C)(C)C)c12.CI.COc1cc2c3c(c1)c(C(C)=O)nn3CC(=O)N1[C@H](C(=O)Cc3nc(C)ccc3C)C[C@@]3(CNC(=O)CCC/C=C/C2)C[C@@H]13.COc1cc2c3c(c1)c(C(C)=O)nn3CC(=O)N1[C@H](C(=O)Cc3nc(C)ccc3C)C[C@@]3(CNC(=O)CCCCCC2)C[C@@H]13.Cl.[Li+].[OH-].
What is the InChIKey of lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride?
The InChIKey is SLLJHWYEABRULI-IFNASVQTSA-M. The full InChI is InChI=1S/C37H44N4O5.C34H41N5O5.C34H39N5O5.C22H30N2O2.C19H24N2O4.C18H22N2O4.C15H16N2O4.CH3I.ClH.Li.H2O/c1-7-9-10-12-27(43)15-16-37-20-31(32(44)19-30-23(3)13-14-24(4)38-30)41(33(37)21-37)34(45)22-40-36-26(11-8-2)17-28(46-6)18-29(36)35(39-40)25(5)42;2*1-20-11-12-21(2)36-26(20)15-28(41)27-16-34-17-29(34)39(27)31(43)18-38-33-23(9-7-5-6-8-10-30(42)35-19-34)13-24(44-4)14-25(33)32(37-38)22(3)40;1-4-5-6-7-17(25)10-11-22-13-19(24-21(22)14-22)20(26)12-18-15(2)8-9-16(3)23-18;1-7-8-13-9-14(24-6)10-15-17(12(2)22)20-21(18(13)15)11-16(23)25-19(3,4)5;1-6-7-12-8-13(22)9-14-16(11(2)21)19-20(17(12)14)10-15(23)24-18(3,4)5;1-4-5-10-6-11(21-3)7-12-14(9(2)18)16-17(15(10)12)8-13(19)20;1-2;;;/h7-8,13-14,17-18,31,33H,1-2,9-12,15-16,19-22H2,3-6H3;11-14,27,29H,5-10,15-19H2,1-4H3,(H,35,42);5,7,11-14,27,29H,6,8-10,15-19H2,1-4H3,(H,35,42);4,8-9,19,21,24H,1,5-7,10-14H2,2-3H3;7,9-10H,1,8,11H2,2-6H3;6,8-9,22H,1,7,10H2,2-5H3;4,6-7H,1,5,8H2,2-3H3,(H,19,20);1H3;1H;;1H2/q;;;;;;;;;+1;/p-1/b;;7-5+;;;;;;;;/t31-,33+,37-;2*27-,29+,34-;19-,21+,22-;;;;;;;/m0000......./s1.
What are the key properties of lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride?
lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride has a molecular weight of 3342.17 g/mol, XLogP of 24.08, 53 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(1R,8E,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-8,11(26),12,14,16-pentaene-4,20-dione;(1R,22R,25S)-16-acetyl-25-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-13-methoxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-4,20-dione;2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetic acid;1-[(1R,3S,5R)-2-[2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetyl]-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;tert-butyl 2-(3-acetyl-5-hydroxy-7-prop-2-enylindazol-1-yl)acetate;tert-butyl 2-(3-acetyl-5-methoxy-7-prop-2-enylindazol-1-yl)acetate;1-[(1R,3S,5R)-3-[2-(3,6-dimethyl-2-pyridinyl)acetyl]-2-azabicyclo[3.1.0]hexan-5-yl]oct-7-en-3-one;iodomethane;hydroxide;hydrochloride is sourced from PubChem (CID 167708445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).