(16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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

C104H107BN28O11S2 — CID 159718307

About (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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 (PubChem CID 159718307) has the molecular formula C104H107BN28O11S2 and a molecular weight of 2000.13 g/mol. Its IUPAC name is (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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.

Molecular Properties

• Compound Name: (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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
• PubChem CID: 159718307
• Molecular Formula: C104H107BN28O11S2
• Molecular Weight: 2000.13 g/mol
• Exact Mass: 1998.82
• IUPAC Name: (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)B(O)CC2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCO2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCC2.[H]N=S1(=O)CCc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc21
• InChI: InChI=1S/C21H22BN5O2.C21H22N6O3S.C21H22N6O2S.C21H22N6O.C20H19N5O3/c1-12-4-5-14-6-7-22(28)20-19(17(10-23)27(3)26-20)15-9-18(21(24)25-11-15)29-13(2)16(14)8-12;1-12-5-6-19-15(7-12)13(2)30-18-8-14(10-24-21(18)23)20-16(11-26(3)31(19,28)29)25-27(4)17(20)9-22;1-12-4-5-19-15(8-12)13(2)29-18-9-14(11-25-21(18)23)20-16(6-7-30(19,24)28)26-27(3)17(20)10-22;1-12-7-8-14-5-4-6-16-20(18(11-22)27(3)26-16)17-10-19(21(23)25-24-17)28-13(2)15(14)9-12;1-11-4-5-16-14(6-11)12(2)28-17-7-13(9-23-19(17)22)18-15(8-21)25(3)24-20(18)27-10-26-16/h4-5,8-9,11,13,28H,6-7H2,1-3H3,(H2,24,25);5-8,10,13H,11H2,1-4H3,(H2,23,24);4-5,8-9,11,13,24H,6-7H2,1-3H3,(H2,23,25);7-10,13H,4-6H2,1-3H3,(H2,23,25);4-7,9,12H,10H2,1-3H3,(H2,22,23)/t2*13-;13-,30?;13-;12-/m11111/s1
• InChIKey: MZSBMXMIOUAUHC-MCFNNLRYSA-N
• XLogP: 14.38
• TPSA: 578.63 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2000.13
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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?

The IUPAC name of (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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 (CID 159718307) is (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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.

What is the SMILES notation for (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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?

The canonical SMILES for (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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 is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)B(O)CC2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)OCO2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCC2.[H]N=S1(=O)CCc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc21.

What is the InChIKey of (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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?

The InChIKey is MZSBMXMIOUAUHC-MCFNNLRYSA-N. The full InChI is InChI=1S/C21H22BN5O2.C21H22N6O3S.C21H22N6O2S.C21H22N6O.C20H19N5O3/c1-12-4-5-14-6-7-22(28)20-19(17(10-23)27(3)26-20)15-9-18(21(24)25-11-15)29-13(2)16(14)8-12;1-12-5-6-19-15(7-12)13(2)30-18-8-14(10-24-21(18)23)20-16(11-26(3)31(19,28)29)25-27(4)17(20)9-22;1-12-4-5-19-15(8-12)13(2)29-18-9-14(11-25-21(18)23)20-16(6-7-30(19,24)28)26-27(3)17(20)10-22;1-12-7-8-14-5-4-6-16-20(18(11-22)27(3)26-16)17-10-19(21(23)25-24-17)28-13(2)15(14)9-12;1-11-4-5-16-14(6-11)12(2)28-17-7-13(9-23-19(17)22)18-15(8-21)25(3)24-20(18)27-10-26-16/h4-5,8-9,11,13,28H,6-7H2,1-3H3,(H2,24,25);5-8,10,13H,11H2,1-4H3,(H2,23,24);4-5,8-9,11,13,24H,6-7H2,1-3H3,(H2,23,25);7-10,13H,4-6H2,1-3H3,(H2,23,25);4-7,9,12H,10H2,1-3H3,(H2,22,23)/t2*13-;13-,30?;13-;12-/m11111/s1.

What are the key properties of (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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 has a molecular weight of 2000.13 g/mol, XLogP of 14.38, 0 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (16R)-19-amino-7-hydroxy-4,13,16-trimethyl-17-oxa-4,5,20-triaza-7-boratetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile;(16R)-19-amino-9-imino-4,13,16-trimethyl-9-oxo-17-oxa-9λ6-thia-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-4,8,13,16-tetramethyl-9,9-dioxo-17-oxa-9λ6-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-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-7,9,17-trioxa-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 is sourced from PubChem (CID 159718307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).