(16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile

C125H133N39O12S4 — CID 160854102

About (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile

(16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (PubChem CID 160854102) has the molecular formula C125H133N39O12S4 and a molecular weight of 2501.97 g/mol. Its IUPAC name is (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
• PubChem CID: 160854102
• Molecular Formula: C125H133N39O12S4
• Molecular Weight: 2501.97 g/mol
• Exact Mass: 2499.99
• IUPAC Name: (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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)CCN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N(C)S(C)(=O)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)N2C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)NS(=O)(=O)N2
• InChI: InChI=1S/C22H24N6O2.2C21H23N7O2S.C21H22N6O2.C21H22N6OS.C19H19N7O3S/c1-13-5-6-19-16(9-13)14(2)29-20-10-15(12-25-22(20)24)21-17(7-8-27(3)30-19)26-28(4)18(21)11-23;1-12-6-7-16-15(8-12)13(2)30-18-9-14(11-24-20(18)23)19-17(10-22)27(3)25-21(19)26-31(5,29)28(16)4;1-12-6-7-16-15(8-12)13(2)30-18-9-14(11-24-20(18)23)19-17(10-22)27(3)25-21(19)28(4)31(5,29)26-16;1-12-5-6-18-15(7-12)13(2)28-19-8-14(10-24-21(19)23)20-16(11-26(3)29-18)25-27(4)17(20)9-22;1-12-5-6-19-15(7-12)13(2)28-18-8-14(10-24-21(18)23)20-16(11-26(3)29-19)25-27(4)17(20)9-22;1-10-4-5-14-13(6-10)11(2)29-16-7-12(9-22-18(16)21)17-15(8-20)26(3)23-19(17)25-30(27,28)24-14/h5-6,9-10,12,14H,7-8H2,1-4H3,(H2,24,25);2*6-9,11,13H,1-5H3,(H2,23,24);2*5-8,10,13H,11H2,1-4H3,(H2,23,24);4-7,9,11,24H,1-3H3,(H2,21,22)(H,23,25)/t14-;2*13-,31?;2*13-;11-/m111111/s1
• InChIKey: SJQJAYLVSCSVAT-USGQKXHASA-N
• XLogP: 19.55
• TPSA: 690.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2501.97
LogP ≤ 5	19.55
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (CID 160854102) is (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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)CCN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N(C)S(C)(=O)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)N2C.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)NS(=O)(=O)N2.

What is the InChIKey of (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?

The InChIKey is SJQJAYLVSCSVAT-USGQKXHASA-N. The full InChI is InChI=1S/C22H24N6O2.2C21H23N7O2S.C21H22N6O2.C21H22N6OS.C19H19N7O3S/c1-13-5-6-19-16(9-13)14(2)29-20-10-15(12-25-22(20)24)21-17(7-8-27(3)30-19)26-28(4)18(21)11-23;1-12-6-7-16-15(8-12)13(2)30-18-9-14(11-24-20(18)23)19-17(10-22)27(3)25-21(19)26-31(5,29)28(16)4;1-12-6-7-16-15(8-12)13(2)30-18-9-14(11-24-20(18)23)19-17(10-22)27(3)25-21(19)28(4)31(5,29)26-16;1-12-5-6-18-15(7-12)13(2)28-19-8-14(10-24-21(19)23)20-16(11-26(3)29-18)25-27(4)17(20)9-22;1-12-5-6-19-15(7-12)13(2)28-18-8-14(10-24-21(18)23)20-16(11-26(3)29-19)25-27(4)17(20)9-22;1-10-4-5-14-13(6-10)11(2)29-16-7-12(9-22-18(16)21)17-15(8-20)26(3)23-19(17)25-30(27,28)24-14/h5-6,9-10,12,14H,7-8H2,1-4H3,(H2,24,25);2*6-9,11,13H,1-5H3,(H2,23,24);2*5-8,10,13H,11H2,1-4H3,(H2,23,24);4-7,9,11,24H,1-3H3,(H2,21,22)(H,23,25)/t14-;2*13-,31?;2*13-;11-/m111111/s1.

What are the key properties of (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile?

(16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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 2501.97 g/mol, XLogP of 19.55, 0 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,8,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,7,10(15),11,13,18,20-nonaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-9,17-dioxa-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;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21-tetrazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20-pentazatetracyclo[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 160854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).