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

C104H111N33O11S5 — CID 158000504

About (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (PubChem CID 158000504) has the molecular formula C104H111N33O11S5 and a molecular weight of 2159.59 g/mol. Its IUPAC name is (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
• PubChem CID: 158000504
• Molecular Formula: C104H111N33O11S5
• Molecular Weight: 2159.59 g/mol
• Exact Mass: 2157.77
• IUPAC Name: (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
• SMILES: CN=S1(=O)Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc2N1.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CS(=O)(N(C)C)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)NS(=O)(=O)C2.[H]N=S1(=O)Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc2N1
• InChI: InChI=1S/C22H25N7O2S.C21H23N7O2S.C21H22N6O2S.C20H21N7O2S.C20H20N6O3S/c1-13-6-7-17-16(8-13)14(2)31-20-9-15(11-25-22(20)24)21-18(26-29(5)19(21)10-23)12-32(30,27-17)28(3)4;1-12-5-6-16-15(7-12)13(2)30-19-8-14(10-25-21(19)23)20-17(11-31(29,24-3)27-16)26-28(4)18(20)9-22;1-12-5-6-14-11-30(4,28)26-21-19(17(9-22)27(3)25-21)15-8-18(20(23)24-10-15)29-13(2)16(14)7-12;1-11-4-5-15-14(6-11)12(2)29-18-7-13(9-24-20(18)22)19-16(10-30(23,28)26-15)25-27(3)17(19)8-21;1-11-4-5-13-10-30(27,28)25-20-18(16(8-21)26(3)24-20)14-7-17(19(22)23-9-14)29-12(2)15(13)6-11/h6-9,11,14H,12H2,1-5H3,(H2,24,25);5-8,10,13H,11H2,1-4H3,(H2,23,25)(H,24,27,29);5-8,10,13H,11H2,1-4H3,(H2,23,24);4-7,9,12H,10H2,1-3H3,(H2,22,24)(H2,23,26,28);4-7,9,12H,10H2,1-3H3,(H2,22,23)(H,24,25)/t14-,32?;13-,31?;13-,30?;12-,30?;12-/m11111/s1
• InChIKey: FDRDFQXYKPRTNE-VSMDYZLGSA-N
• XLogP: 16.34
• TPSA: 651.43 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 1
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.59
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile (CID 158000504) is (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile is CN=S1(=O)Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc2N1.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CS(=O)(N(C)C)=N2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S(C)(=O)C2.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)NS(=O)(=O)C2.[H]N=S1(=O)Cc2nn(C)c(C#N)c2-c2cnc(N)c(c2)O[C@H](C)c2cc(C)ccc2N1.

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

The InChIKey is FDRDFQXYKPRTNE-VSMDYZLGSA-N. The full InChI is InChI=1S/C22H25N7O2S.C21H23N7O2S.C21H22N6O2S.C20H21N7O2S.C20H20N6O3S/c1-13-6-7-17-16(8-13)14(2)31-20-9-15(11-25-22(20)24)21-18(26-29(5)19(21)10-23)12-32(30,27-17)28(3)4;1-12-5-6-16-15(7-12)13(2)30-19-8-14(10-25-21(19)23)20-17(11-31(29,24-3)27-16)26-28(4)18(20)9-22;1-12-5-6-14-11-30(4,28)26-21-19(17(9-22)27(3)25-21)15-8-18(20(23)24-10-15)29-13(2)16(14)7-12;1-11-4-5-15-14(6-11)12(2)29-18-7-13(9-24-20(18)22)19-16(10-30(23,28)26-15)25-27(3)17(19)8-21;1-11-4-5-13-10-30(27,28)25-20-18(16(8-21)26(3)24-20)14-7-17(19(22)23-9-14)29-12(2)15(13)6-11/h6-9,11,14H,12H2,1-5H3,(H2,24,25);5-8,10,13H,11H2,1-4H3,(H2,23,25)(H,24,27,29);5-8,10,13H,11H2,1-4H3,(H2,23,24);4-7,9,12H,10H2,1-3H3,(H2,22,24)(H2,23,26,28);4-7,9,12H,10H2,1-3H3,(H2,22,23)(H,24,25)/t14-,32?;13-,31?;13-,30?;12-,30?;12-/m11111/s1.

What are the key properties of (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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 2159.59 g/mol, XLogP of 16.34, 1 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (16R)-19-amino-8-(dimethylamino)-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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-8-imino-4,13,16-trimethyl-8-oxo-17-oxa-8λ6-thia-4,5,9,20-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-4,8,13,16-tetramethyl-8-oxo-17-oxa-8λ6-thia-4,5,7,20-tetrazatetracyclo[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-4,13,16-trimethyl-8,8-dioxo-17-oxa-8λ6-thia-4,5,7,20-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-methylimino-8-oxo-17-oxa-8λ6-thia-4,5,9,20-tetrazatetracyclo[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 158000504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).