About (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (PubChem CID 159123085) has the molecular formula C114H121N29O9S
and a molecular weight of 2073.48 g/mol. Its IUPAC name is (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The IUPAC name of (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (CID 159123085) is (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile.
What is the SMILES notation for (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The canonical SMILES for (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile is C/N=C1/c2ccc(C)cc2[C@@H](C)Oc2cc(cnc2N)-c2c(nn(C)c2C#N)CN1C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC(C)(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)CCO2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OC(C)(C)C2=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)SN(C)C2.
What is the InChIKey of (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
The InChIKey is KFYDCJSOMZRAAO-HSQOACEUSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H25N7O.C23H26N6O2.C23H23N5O3.C21H22N6OS/c1-13-6-7-16-17(8-13)14(2)31-20-9-15(12-27-23(20)26)21-18(10-24(3,4)22(16)30)28-29(5)19(21)11-25;1-13-6-7-16-17(8-13)14(2)31-20-9-15(11-27-22(20)25)21-18(12-29(4)23(16)26-3)28-30(5)19(21)10-24;1-14-5-6-20-17(9-14)15(2)31-21-10-16(12-26-23(21)25)22-18(13-28(3)7-8-30-20)27-29(4)19(22)11-24;1-12-6-7-15-16(8-12)13(2)30-18-9-14(11-26-21(18)25)19-17(10-24)28(5)27-22(19)31-23(3,4)20(15)29;1-12-5-6-14-11-26(3)29-21-19(17(9-22)27(4)25-21)15-8-18(20(23)24-10-15)28-13(2)16(14)7-12/h6-9,12,14H,10H2,1-5H3,(H2,26,27);6-9,11,14H,12H2,1-5H3,(H2,25,27);5-6,9-10,12,15H,7-8,13H2,1-4H3,(H2,25,26);6-9,11,13H,1-5H3,(H2,25,26);5-8,10,13H,11H2,1-4H3,(H2,23,24)/b;26-23-;;;/t2*14-;15-;2*13-/m11111/s1.
What are the key properties of (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?
(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile has a molecular weight of 2073.48 g/mol, XLogP of 18.14, 0 rotatable bonds, 5 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-7,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,8,13,16-pentamethyl-9-oxo-17-oxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(18R)-21-amino-4,8,15,18-tetramethyl-11,19-dioxa-4,5,8,22-tetrazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,5,12(17),13,15,20,22-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9-methylimino-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-7-thia-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile is sourced from PubChem (CID 159123085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).