(16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile

C125H121N39O10S2 — CID 160747090

About (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (PubChem CID 160747090) has the molecular formula C125H121N39O10S2 and a molecular weight of 2393.74 g/mol. Its IUPAC name is (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile
• PubChem CID: 160747090
• Molecular Formula: C125H121N39O10S2
• Molecular Weight: 2393.74 g/mol
• Exact Mass: 2391.96
• IUPAC Name: (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=NN12.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)/C=C/C2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)C/C=C\2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCC2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCS2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CS(=O)(=O)C2
• InChI: InChI=1S/C22H19N9O.C21H22N6O.2C21H20N6O.2C20H20N6O3S/c1-12-6-7-16-14(9-12)13(2)32-18-10-15(27-28-21(18)24)20-17(11-23)30(3)29-22(20)26-19-5-4-8-25-31(16)19;3*1-12-7-8-14-5-4-6-16-19(18(10-22)27(3)26-16)17-11-24-20(23)21(25-17)28-13(2)15(14)9-12;1-11-4-5-13-9-30(27,28)10-16-18(17(7-21)26(3)25-16)15-8-23-19(22)20(24-15)29-12(2)14(13)6-11;1-11-4-5-17-13(8-11)12(2)29-20-19(22)23-10-15(24-20)18-14(6-7-30(17,27)28)25-26(3)16(18)9-21/h4-10,13H,1-3H3,(H2,24,28);7-9,11,13H,4-6H2,1-3H3,(H2,23,24);4,6-9,11,13H,5H2,1-3H3,(H2,23,24);4-5,7-9,11,13H,6H2,1-3H3,(H2,23,24);4-6,8,12H,9-10H2,1-3H3,(H2,22,23);4-5,8,10,12H,6-7H2,1-3H3,(H2,22,23)/b26-19-;;6-4+;5-4-;;/t4*13-;2*12-/m111111/s1
• InChIKey: RWIDKJNKYOGZJP-JLBXNAISSA-N
• XLogP: 17.47
• TPSA: 712.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 49
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2393.74
LogP ≤ 5	17.47
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile (CID 160747090) is (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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)Oc1cc(nnc1N)-c1c(nn(C)c1C#N)/N=C1/C=CC=NN12.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)/C=C/C2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)C/C=C\2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCC2.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CCS2(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CS(=O)(=O)C2.

What is the InChIKey of (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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 RWIDKJNKYOGZJP-JLBXNAISSA-N. The full InChI is InChI=1S/C22H19N9O.C21H22N6O.2C21H20N6O.2C20H20N6O3S/c1-12-6-7-16-14(9-12)13(2)32-18-10-15(27-28-21(18)24)20-17(11-23)30(3)29-22(20)26-19-5-4-8-25-31(16)19;3*1-12-7-8-14-5-4-6-16-19(18(10-22)27(3)26-16)17-11-24-20(23)21(25-17)28-13(2)15(14)9-12;1-11-4-5-13-9-30(27,28)10-16-18(17(7-21)26(3)25-16)15-8-23-19(22)20(24-15)29-12(2)14(13)6-11;1-11-4-5-17-13(8-11)12(2)29-20-19(22)23-10-15(24-20)18-14(6-7-30(17,27)28)25-26(3)16(18)9-21/h4-10,13H,1-3H3,(H2,24,28);7-9,11,13H,4-6H2,1-3H3,(H2,23,24);4,6-9,11,13H,5H2,1-3H3,(H2,23,24);4-5,7-9,11,13H,6H2,1-3H3,(H2,23,24);4-6,8,12H,9-10H2,1-3H3,(H2,22,23);4-5,8,10,12H,6-7H2,1-3H3,(H2,22,23)/b26-19-;;6-4+;5-4-;;/t4*13-;2*12-/m111111/s1.

What are the key properties of (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-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-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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 2393.74 g/mol, XLogP of 17.47, 0 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (16R)-19-amino-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(21),2,5,10(15),11,13,18(22),19-octaene-3-carbonitrile;(20R)-23-amino-4,17,20-trimethyl-21-oxa-4,5,7,12,13,24,25-heptazapentacyclo[20.3.1.02,6.08,13.014,19]hexacosa-1(25),2,5,7,9,11,14(19),15,17,22(26),23-undecaene-3-carbonitrile;(7E,16R)-19-amino-4,13,16-trimethyl-17-oxa-4,5,20,22-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-4,5,20,22-tetrazatetracyclo[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-4,13,16-trimethyl-17-oxa-4,5,20,22-tetrazatetracyclo[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 160747090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).