(19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile

C103H99N42O12S5+ — CID 159331138

About (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile

(19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile (PubChem CID 159331138) has the molecular formula C103H99N42O12S5+ and a molecular weight of 2277.54 g/mol. Its IUPAC name is (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile.

Molecular Properties

• Compound Name: (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile
• PubChem CID: 159331138
• Molecular Formula: C103H99N42O12S5+
• Molecular Weight: 2277.54 g/mol
• Exact Mass: 2275.70
• IUPAC Name: (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile
• SMILES: Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1C=NN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC(=O)N=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CCN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CS1(=O)=NN=CN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)C1=C(C#N)C(C)N=[N+]1S(=O)(=O)n1ccnc1-2
• InChI: InChI=1S/C21H20N8O3S.C21H19N8O3S.C21H22N8O2S.2C20H19N9O2S/c1-11-4-5-17-13(6-11)12(2)32-21-20(23)24-8-14(25-21)19-15(26-28(3)16(19)7-22)9-29-10-18(30)27-33(17,29)31;1-11-4-5-14-15(8-11)13(3)32-21-19(23)25-10-17(26-21)18-16(9-22)12(2)27-29(18)33(30,31)28-7-6-24-20(14)28;1-12-4-5-18-14(8-12)13(2)31-21-20(23)24-10-15(26-21)19-16(27-28(3)17(19)9-22)11-29-7-6-25-32(18,29)30;1-11-4-5-17-13(6-11)12(2)31-20-19(22)23-8-14(25-20)18-15(26-28(3)16(18)7-21)9-29-10-24-27-32(17,29)30;1-11-4-5-16-13(6-11)12(2)31-20-19(22)23-8-14(25-20)18-15(26-28(3)17(18)7-21)9-32(30)27-24-10-29(16)32/h4-6,8,12H,9-10H2,1-3H3,(H2,23,24);4-8,10,12-13H,1-3H3,(H2,23,25);4-5,8,10,13H,6-7,11H2,1-3H3,(H2,23,24);2*4-6,8,10,12H,9H2,1-3H3,(H2,22,23)/q;+1;;;/t12-,33?;12?,13-;13-,32?;2*12-,32?/m11111/s1
• InChIKey: ODCZZUCRZIXZHK-JASJZTKWSA-N
• XLogP: 11.54
• TPSA: 735.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 48
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.54
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile?

The IUPAC name of (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile (CID 159331138) is (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile.

What is the SMILES notation for (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile?

The canonical SMILES for (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile is Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1C=NN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CC(=O)N=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CN1CCN=S21=O.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)-c1c(nn(C)c1C#N)CS1(=O)=NN=CN21.Cc1ccc2c(c1)[C@@H](C)Oc1nc(cnc1N)C1=C(C#N)C(C)N=[N+]1S(=O)(=O)n1ccnc1-2.

What is the InChIKey of (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile?

The InChIKey is ODCZZUCRZIXZHK-JASJZTKWSA-N. The full InChI is InChI=1S/C21H20N8O3S.C21H19N8O3S.C21H22N8O2S.2C20H19N9O2S/c1-11-4-5-17-13(6-11)12(2)32-21-20(23)24-8-14(25-21)19-15(26-28(3)16(19)7-22)9-29-10-18(30)27-33(17,29)31;1-11-4-5-14-15(8-11)13(3)32-21-19(23)25-10-17(26-21)18-16(9-22)12(2)27-29(18)33(30,31)28-7-6-24-20(14)28;1-12-4-5-18-14(8-12)13(2)31-21-20(23)24-10-15(26-21)19-16(27-28(3)17(19)9-22)11-29-7-6-25-32(18,29)30;1-11-4-5-17-13(6-11)12(2)31-20-19(22)23-8-14(25-20)18-15(26-28(3)16(18)7-21)9-29-10-24-27-32(17,29)30;1-11-4-5-16-13(6-11)12(2)31-20-19(22)23-8-14(25-20)18-15(26-28(3)17(18)7-21)9-32(30)27-24-10-29(16)32/h4-6,8,12H,9-10H2,1-3H3,(H2,23,24);4-8,10,12-13H,1-3H3,(H2,23,25);4-5,8,10,13H,6-7,11H2,1-3H3,(H2,23,24);2*4-6,8,10,12H,9H2,1-3H3,(H2,22,23)/q;+1;;;/t12-,33?;12?,13-;13-,32?;2*12-,32?/m11111/s1.

What are the key properties of (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile?

(19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile has a molecular weight of 2277.54 g/mol, XLogP of 11.54, 0 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (19R)-22-amino-4,16,19-trimethyl-10,12-dioxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-7,7-dioxo-20-oxa-7λ6-thia-5,8,11,23,25-pentaza-6-azoniapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-8-oxo-20-oxa-8λ6-thia-4,5,9,10,12,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,8,10,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,10,11,23,25-heptazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,9,11,13(18),14,16,21(25),22-decaene-3-carbonitrile;(19R)-22-amino-4,16,19-trimethyl-12-oxo-20-oxa-12λ6-thia-4,5,8,11,23,25-hexazapentacyclo[19.3.1.02,6.08,12.013,18]pentacosa-1(24),2,5,11,13(18),14,16,21(25),22-nonaene-3-carbonitrile is sourced from PubChem (CID 159331138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).