About (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile
(18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile (PubChem CID 159272379) has the molecular formula C112H117N33O7
and a molecular weight of 2037.39 g/mol. Its IUPAC name is (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile?
The IUPAC name of (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile (CID 159272379) is (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile.
What is the SMILES notation for (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile?
The canonical SMILES for (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1C2CN1C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CC1O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CCC1O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CC1CCN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CCC21.
What is the InChIKey of (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile?
The InChIKey is KXWKEXPDQXCIRC-REIPFNQRSA-N. The full InChI is InChI=1S/C23H25N7O.C23H24N6O2.2C22H23N7O.C22H22N6O2/c1-12-5-6-14-15(7-12)13(2)31-23-22(25)26-10-18(27-23)21-17(28-30(4)20(21)9-24)8-19-16(14)11-29(19)3;1-12-4-6-20-15(8-12)13(2)30-23-22(25)26-11-17(27-23)21-16(28-29(3)18(21)10-24)9-14-5-7-19(14)31-20;1-12-4-5-18-15(8-12)13(2)30-22-21(24)25-11-17(26-22)20-16(9-14-6-7-29(14)18)27-28(3)19(20)10-23;1-12-4-5-14-15(8-12)13(2)30-22-21(24)25-10-16(26-22)20-17(11-29-7-6-18(14)29)27-28(3)19(20)9-23;1-11-4-5-18-14(6-11)12(2)29-22-21(24)25-10-16(26-22)20-15(7-13-8-19(13)30-18)27-28(3)17(20)9-23/h5-7,10,13,16,19H,8,11H2,1-4H3,(H2,25,26);4,6,8,11,13-14,19H,5,7,9H2,1-3H3,(H2,25,26);4-5,8,11,13-14H,6-7,9H2,1-3H3,(H2,24,25);4-5,8,10,13,18H,6-7,11H2,1-3H3,(H2,24,25);4-6,10,12-13,19H,7-8H2,1-3H3,(H2,24,25)/t13-,16?,19?;13-,14?,19?;13-,14?;13-,18?;12-,13?,19?/m11111/s1.
What are the key properties of (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile?
(18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile has a molecular weight of 2037.39 g/mol, XLogP of 15.28, 0 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (18R)-21-amino-4,9,15,18-tetramethyl-19-oxa-4,5,9,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12,20-dioxa-4,5,23,25-tetrazapentacyclo[19.3.1.02,6.08,11.013,18]pentacosa-1(24),2,5,13(18),14,16,21(25),22-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-11,19-dioxa-4,5,22,24-tetrazapentacyclo[18.3.1.02,6.08,10.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,8,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile;(18R)-21-amino-4,15,18-trimethyl-19-oxa-4,5,11,22,24-pentazapentacyclo[18.3.1.02,6.08,11.012,17]tetracosa-1(23),2,5,12(17),13,15,20(24),21-octaene-3-carbonitrile is sourced from PubChem (CID 159272379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).