About sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide
sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide (PubChem CID 158529204) has the molecular formula C190H239N18NaO33
and a molecular weight of 3326.08 g/mol. Its IUPAC name is sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide.
Frequently Asked Questions
What is the IUPAC name of sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide?
The IUPAC name of sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide (CID 158529204) is sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide.
What is the SMILES notation for sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide?
The canonical SMILES for sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide is COC(=O)c1ccc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)NC6C(C)(C)C(Oc7cc(C)c(C#N)c(C)c7)C6(C)C)cc5)CC4)C3)C2)cc1OC.COC(=O)c1ccc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)O)cc5)CC4)C3)C2)cc1OC.COc1cc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)NC6C(C)(C)C(Oc7cc(C)c(C#N)c(C)c7)C6(C)C)cc5)CC4)C3)C2)ccc1C(=O)C[C@H]1CCC(=O)NC1=O.COc1cc(OC2CC(N3CCOC4(CCN(c5ccc(C(=O)NC6C(C)(C)C(Oc7cc(C)c(C#N)c(C)c7)C6(C)C)cc5)CC4)C3)C2)ccc1C(=O)O.Cc1cc(OC2C(C)(C)C(N)C2(C)C)cc(C)c1C#N.N[C@H]1CCC(=O)CC1=O.[Na+].[OH-].
What is the InChIKey of sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide?
The InChIKey is HNDVBYFZSDIVOL-UPNOLVSGSA-M. The full InChI is InChI=1S/C50H61N5O8.C45H56N4O7.C44H54N4O7.C28H34N2O7.C17H24N2O.C6H9NO2.Na.H2O/c1-30-22-37(23-31(2)40(30)28-51)63-47-48(3,4)46(49(47,5)6)53-44(58)32-8-11-34(12-9-32)54-18-16-50(17-19-54)29-55(20-21-61-50)35-25-38(26-35)62-36-13-14-39(42(27-36)60-7)41(56)24-33-10-15-43(57)52-45(33)59;1-28-21-34(22-29(2)37(28)26-46)56-42-43(3,4)41(44(42,5)6)47-39(50)30-9-11-31(12-10-30)48-17-15-45(16-18-48)27-49(19-20-54-45)32-23-35(24-32)55-33-13-14-36(40(51)53-8)38(25-33)52-7;1-27-20-33(21-28(2)36(27)25-45)55-41-42(3,4)40(43(41,5)6)46-38(49)29-8-10-30(11-9-29)47-16-14-44(15-17-47)26-48(18-19-53-44)31-22-34(23-31)54-32-12-13-35(39(50)51)37(24-32)52-7;1-34-25-17-22(7-8-24(25)27(33)35-2)37-23-15-21(16-23)30-13-14-36-28(18-30)9-11-29(12-10-28)20-5-3-19(4-6-20)26(31)32;1-10-7-12(8-11(2)13(10)9-18)20-15-16(3,4)14(19)17(15,5)6;7-5-2-1-4(8)3-6(5)9;;/h8-9,11-14,22-23,27,33,35,38,46-47H,10,15-21,24-26,29H2,1-7H3,(H,53,58)(H,52,57,59);9-14,21-22,25,32,35,41-42H,15-20,23-24,27H2,1-8H3,(H,47,50);8-13,20-21,24,31,34,40-41H,14-19,22-23,26H2,1-7H3,(H,46,49)(H,50,51);3-8,17,21,23H,9-16,18H2,1-2H3,(H,31,32);7-8,14-15H,19H2,1-6H3;5H,1-3,7H2;;1H2/q;;;;;;+1;/p-1/t33-,35?,38?,46?,47?;;;;;5-;;/m1....0../s1.
What are the key properties of sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide?
sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide has a molecular weight of 3326.08 g/mol, XLogP of 23.58, 41 rotatable bonds, 8 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(4S)-4-aminocyclohexane-1,3-dione;4-(3-amino-2,2,4,4-tetramethylcyclobutyl)oxy-2,6-dimethylbenzonitrile;4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoic acid;N-[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[3-[4-[2-[(3R)-2,6-dioxopiperidin-3-yl]acetyl]-3-methoxyphenoxy]cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzamide;4-[4-[3-(3-methoxy-4-methoxycarbonylphenoxy)cyclobutyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]benzoic acid;methyl 4-[3-[9-[4-[[3-(4-cyano-3,5-dimethylphenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]phenyl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]cyclobutyl]oxy-2-methoxybenzoate;hydroxide is sourced from PubChem (CID 158529204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).