(7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile

C102H98N30O11S3 — CID 157182897

About (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile

(7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile (PubChem CID 157182897) has the molecular formula C102H98N30O11S3 and a molecular weight of 2016.31 g/mol. Its IUPAC name is (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile.

Molecular Properties

• Compound Name: (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile
• PubChem CID: 157182897
• Molecular Formula: C102H98N30O11S3
• Molecular Weight: 2016.31 g/mol
• Exact Mass: 2014.72
• IUPAC Name: (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/C=C/C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/C=C/S2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)C/C=C\2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCS2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=O)C2
• InChI: InChI=1S/2C21H20N6O.2C20H20N6O3S.C20H18N6O3S/c2*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;1-11-4-5-13-9-30(27,28)10-16-19(17(8-21)26(3)25-16)15-7-18(20(22)24-23-15)29-12(2)14(13)6-11;2*1-11-4-5-18-13(8-11)12(2)29-17-9-15(23-24-20(17)22)19-14(6-7-30(18,27)28)25-26(3)16(19)10-21/h4,6-10,13H,5H2,1-3H3,(H2,23,25);4-5,7-10,13H,6H2,1-3H3,(H2,23,25);4-7,12H,9-10H2,1-3H3,(H2,22,24);4-5,8-9,12H,6-7H2,1-3H3,(H2,22,24);4-9,12H,1-3H3,(H2,22,24)/b6-4+;5-4-;;;7-6+/t2*13-;3*12-/m11111/s1
• InChIKey: AOTRFMINMJKZGI-SOHAUZQLSA-N
• XLogP: 13.55
• TPSA: 615.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 41
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2016.31
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

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

The IUPAC name of (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile (CID 157182897) is (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile.

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

The canonical SMILES for (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/C=C/C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/C=C/S2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)C/C=C\2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CCS2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)CS(=O)(=O)C2.

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

The InChIKey is AOTRFMINMJKZGI-SOHAUZQLSA-N. The full InChI is InChI=1S/2C21H20N6O.2C20H20N6O3S.C20H18N6O3S/c2*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;1-11-4-5-13-9-30(27,28)10-16-19(17(8-21)26(3)25-16)15-7-18(20(22)24-23-15)29-12(2)14(13)6-11;2*1-11-4-5-18-13(8-11)12(2)29-17-9-15(23-24-20(17)22)19-14(6-7-30(18,27)28)25-26(3)16(19)10-21/h4,6-10,13H,5H2,1-3H3,(H2,23,25);4-5,7-10,13H,6H2,1-3H3,(H2,23,25);4-7,12H,9-10H2,1-3H3,(H2,22,24);4-5,8-9,12H,6-7H2,1-3H3,(H2,22,24);4-9,12H,1-3H3,(H2,22,24)/b6-4+;5-4-;;;7-6+/t2*13-;3*12-/m11111/s1.

What are the key properties of (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile?

(7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile has a molecular weight of 2016.31 g/mol, XLogP of 13.55, 0 rotatable bonds, 5 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (7E,16R)-19-amino-4,13,16-trimethyl-9,9-dioxo-17-oxa-9λ6-thia-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-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-9,9-dioxo-17-oxa-9λ6-thia-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;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,7,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(8Z,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,21-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile is sourced from PubChem (CID 157182897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).