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

C119H127N45O12S4 — CID 158343648

About (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (PubChem CID 158343648) has the molecular formula C119H127N45O12S4 and a molecular weight of 2507.90 g/mol. Its IUPAC name is (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile.

Molecular Properties

• Compound Name: (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
• PubChem CID: 158343648
• Molecular Formula: C119H127N45O12S4
• Molecular Weight: 2507.90 g/mol
• Exact Mass: 2505.96
• IUPAC Name: (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)N(C)S(C)(=O)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)N2C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)NS(=O)(=O)N2
• InChI: InChI=1S/C21H23N7O2.2C20H22N8O2S.C20H21N7O2.C20H21N7OS.C18H18N8O3S/c1-12-5-6-18-14(9-12)13(2)29-21-20(23)24-11-16(25-21)19-15(7-8-27(3)30-18)26-28(4)17(19)10-22;1-11-6-7-15-13(8-11)12(2)30-20-18(22)23-10-14(24-20)17-16(9-21)27(3)25-19(17)26-31(5,29)28(15)4;1-11-6-7-14-13(8-11)12(2)30-20-18(22)23-10-15(24-20)17-16(9-21)27(3)25-19(17)28(4)31(5,29)26-14;2*1-11-5-6-17-13(7-11)12(2)28-20-19(22)23-9-14(24-20)18-15(10-26(3)29-17)25-27(4)16(18)8-21;1-9-4-5-12-11(6-9)10(2)29-18-16(20)21-8-13(22-18)15-14(7-19)26(3)23-17(15)25-30(27,28)24-12/h5-6,9,11,13H,7-8H2,1-4H3,(H2,23,24);2*6-8,10,12H,1-5H3,(H2,22,23);2*5-7,9,12H,10H2,1-4H3,(H2,22,23);4-6,8,10,24H,1-3H3,(H2,20,21)(H,23,25)/t13-;2*12-,31?;2*12-;10-/m111111/s1
• InChIKey: GRLPUESCGKKJNR-WWQVHVKBSA-N
• XLogP: 15.92
• TPSA: 767.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 54
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2507.90
LogP ≤ 5	15.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	54

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

The IUPAC name of (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (CID 158343648) is (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile.

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

The canonical SMILES for (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN(C)O2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN(C)S2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)N(C)S(C)(=O)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)N2C.Cc1ccc2c(c1)[C@@H](C)Oc1nc(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-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile?

The InChIKey is GRLPUESCGKKJNR-WWQVHVKBSA-N. The full InChI is InChI=1S/C21H23N7O2.2C20H22N8O2S.C20H21N7O2.C20H21N7OS.C18H18N8O3S/c1-12-5-6-18-14(9-12)13(2)29-21-20(23)24-11-16(25-21)19-15(7-8-27(3)30-18)26-28(4)17(19)10-22;1-11-6-7-15-13(8-11)12(2)30-20-18(22)23-10-14(24-20)17-16(9-21)27(3)25-19(17)26-31(5,29)28(15)4;1-11-6-7-14-13(8-11)12(2)30-20-18(22)23-10-15(24-20)17-16(9-21)27(3)25-19(17)28(4)31(5,29)26-14;2*1-11-5-6-17-13(7-11)12(2)28-20-19(22)23-9-14(24-20)18-15(10-26(3)29-17)25-27(4)16(18)8-21;1-9-4-5-12-11(6-9)10(2)29-18-16(20)21-8-13(22-18)15-14(7-19)26(3)23-17(15)25-30(27,28)24-12/h5-6,9,11,13H,7-8H2,1-4H3,(H2,23,24);2*6-8,10,12H,1-5H3,(H2,22,23);2*5-7,9,12H,10H2,1-4H3,(H2,22,23);4-6,8,10,24H,1-3H3,(H2,20,21)(H,23,25)/t13-;2*12-,31?;2*12-;10-/m111111/s1.

What are the key properties of (16R)-19-amino-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,7,8,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile has a molecular weight of 2507.90 g/mol, XLogP of 15.92, 0 rotatable bonds, 8 hydrogen bond donors, and 54 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-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,8,10(15),11,13,18(22),19-nonaene-3-carbonitrile;(16R)-19-amino-4,8,9,13,16-pentamethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[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-4,8,13,16-tetramethyl-9,17-dioxa-4,5,8,20,22-pentazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(17R)-20-amino-4,9,14,17-tetramethyl-10,18-dioxa-4,5,9,21,23-pentazatetracyclo[17.3.1.02,6.011,16]tricosa-1(22),2,5,11(16),12,14,19(23),20-octaene-3-carbonitrile;(16R)-19-amino-4,8,13,16-tetramethyl-17-oxa-9-thia-4,5,8,20,22-pentazatetracyclo[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-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,9,20,22-hexazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile is sourced from PubChem (CID 158343648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).