(19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile

C113H114N32O13S5 — CID 158789264

About (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile

(19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile (PubChem CID 158789264) has the molecular formula C113H114N32O13S5 and a molecular weight of 2288.70 g/mol. Its IUPAC name is (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile.

Molecular Properties

• Compound Name: (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile
• PubChem CID: 158789264
• Molecular Formula: C113H114N32O13S5
• Molecular Weight: 2288.70 g/mol
• Exact Mass: 2286.78
• IUPAC Name: (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1C2=NNS1(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CCS(=O)(=O)N21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C[C@@H]1CC(=O)N=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C[C@@H]1CCN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S1(=O)CCCN21
• InChI: InChI=1S/C23H22N6O3S.C23H24N6O3S.C23H24N6O2S.C22H21N7O3S.C22H23N7O2S/c1-12-4-5-20-16(6-12)13(2)32-19-7-14(11-26-23(19)25)22-17(27-29(3)18(22)10-24)8-15-9-21(30)28-33(15,20)31;1-13-4-5-19-17(8-13)14(2)32-21-9-15(12-26-23(21)25)22-18(27-28(3)20(22)11-24)10-16-6-7-33(30,31)29(16)19;1-13-4-5-21-17(8-13)14(2)31-20-9-15(12-26-23(20)25)22-18(28-29(3)19(22)11-24)10-16-6-7-27-32(16,21)30;1-11-4-5-14-15(6-11)12(2)32-18-7-13(10-25-22(18)24)20-16(27-29(3)17(20)9-23)8-19-21(14)26-28-33(19,30)31;1-13-5-6-17-16(9-13)14(2)31-19-10-15(12-25-21(19)24)20-18(11-23)28(3)26-22(20)27-32(30)8-4-7-29(17)32/h4-7,11,13,15H,8-9H2,1-3H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-7,10,12,19,28H,8H2,1-3H3,(H2,24,25);5-6,9-10,12,14H,4,7-8H2,1-3H3,(H2,24,25)/t13-,15-,33?;14-,16?;14-,16+,32?;12-,19?;14-,32?/m11111/s1
• InChIKey: ISBJINPVEOAMFZ-WQBCOLCSSA-N
• XLogP: 15.02
• TPSA: 653.26 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 41
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2288.70
LogP ≤ 5	15.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile?

The IUPAC name of (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile (CID 158789264) is (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile.

What is the SMILES notation for (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile?

The canonical SMILES for (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1C2=NNS1(=O)=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)CC1CCS(=O)(=O)N21.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C[C@@H]1CC(=O)N=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)C[C@@H]1CCN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1cc(cnc1N)-c1c(nn(C)c1C#N)N=S1(=O)CCCN21.

What is the InChIKey of (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile?

The InChIKey is ISBJINPVEOAMFZ-WQBCOLCSSA-N. The full InChI is InChI=1S/C23H22N6O3S.C23H24N6O3S.C23H24N6O2S.C22H21N7O3S.C22H23N7O2S/c1-12-4-5-20-16(6-12)13(2)32-19-7-14(11-26-23(19)25)22-17(27-29(3)18(22)10-24)8-15-9-21(30)28-33(15,20)31;1-13-4-5-19-17(8-13)14(2)32-21-9-15(12-26-23(21)25)22-18(27-28(3)20(22)11-24)10-16-6-7-33(30,31)29(16)19;1-13-4-5-21-17(8-13)14(2)31-20-9-15(12-26-23(20)25)22-18(28-29(3)19(22)11-24)10-16-6-7-27-32(16,21)30;1-11-4-5-14-15(6-11)12(2)32-18-7-13(10-25-22(18)24)20-16(27-29(3)17(20)9-23)8-19-21(14)26-28-33(19,30)31;1-13-5-6-17-16(9-13)14(2)31-19-10-15(12-25-21(19)24)20-18(11-23)28(3)26-22(20)27-32(30)8-4-7-29(17)32/h4-7,11,13,15H,8-9H2,1-3H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-5,8-9,12,14,16H,6-7,10H2,1-3H3,(H2,25,26);4-7,10,12,19,28H,8H2,1-3H3,(H2,24,25);5-6,9-10,12,14H,4,7-8H2,1-3H3,(H2,24,25)/t13-,15-,33?;14-,16?;14-,16+,32?;12-,19?;14-,32?/m11111/s1.

What are the key properties of (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile?

(19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile has a molecular weight of 2288.70 g/mol, XLogP of 15.02, 0 rotatable bonds, 6 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-22-amino-4,16,19-trimethyl-9,9-dioxo-20-oxa-9λ6-thia-4,5,10,11,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(8R,19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-11,11-dioxo-20-oxa-11λ6-thia-4,5,12,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,13(18),14,16,21,23-octaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,7,12,23-pentazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,7,13(18),14,16,21,23-nonaene-3-carbonitrile;(8S,19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,11,23-tetrazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(25),2,5,11,13(18),14,16,21,23-nonaene-3-carbonitrile is sourced from PubChem (CID 158789264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).