(1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide

C116H156N20O17 — CID 167620335

About (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide

(1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide (PubChem CID 167620335) has the molecular formula C116H156N20O17 and a molecular weight of 2102.65 g/mol. Its IUPAC name is (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide.

Molecular Properties

• Compound Name: (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
• PubChem CID: 167620335
• Molecular Formula: C116H156N20O17
• Molecular Weight: 2102.65 g/mol
• Exact Mass: 2101.20
• IUPAC Name: (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide
• SMILES: CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(C(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(CCC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(OC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3
• InChI: InChI=1S/C31H43N5O4.C29H39N5O5.C29H39N5O4.C27H35N5O4/c1-19(2)11-12-21-13-22-9-7-5-6-8-10-26(38)33-18-31-15-24(30(40)32-4)36(25(31)16-31)27(39)17-35-29(22)23(14-21)28(34-35)20(3)37;1-17(2)39-20-11-19-9-7-5-6-8-10-24(36)31-16-29-13-22(28(38)30-4)34(23(29)14-29)25(37)15-33-27(19)21(12-20)26(32-33)18(3)35;1-17(2)20-11-19-9-7-5-6-8-10-24(36)31-16-29-13-22(28(38)30-4)34(23(29)14-29)25(37)15-33-27(19)21(12-20)26(32-33)18(3)35;1-16-10-18-8-6-4-5-7-9-22(34)29-15-27-12-20(26(36)28-3)32(21(27)13-27)23(35)14-31-25(18)19(11-16)24(30-31)17(2)33/h13-14,19,24-25H,5-12,15-18H2,1-4H3,(H,32,40)(H,33,38);11-12,17,22-23H,5-10,13-16H2,1-4H3,(H,30,38)(H,31,36);11-12,17,22-23H,5-10,13-16H2,1-4H3,(H,30,38)(H,31,36);10-11,20-21H,4-9,12-15H2,1-3H3,(H,28,36)(H,29,34)/t24-,25+,31-;2*22-,23+,29-;20-,21+,27-/m0000/s1
• InChIKey: MISHWHSSFZFLQP-RTNNSNQRSA-N
• XLogP: 11.68
• TPSA: 462.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.65
LogP ≤ 5	11.68
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide?

The IUPAC name of (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide (CID 167620335) is (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide.

What is the SMILES notation for (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide?

The canonical SMILES for (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide is CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(C(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(CCC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.CNC(=O)[C@@H]1C[C@]23CNC(=O)CCCCCCc4cc(OC(C)C)cc5c(C(C)=O)nn(c45)CC(=O)N1[C@@H]2C3.

What is the InChIKey of (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide?

The InChIKey is MISHWHSSFZFLQP-RTNNSNQRSA-N. The full InChI is InChI=1S/C31H43N5O4.C29H39N5O5.C29H39N5O4.C27H35N5O4/c1-19(2)11-12-21-13-22-9-7-5-6-8-10-26(38)33-18-31-15-24(30(40)32-4)36(25(31)16-31)27(39)17-35-29(22)23(14-21)28(34-35)20(3)37;1-17(2)39-20-11-19-9-7-5-6-8-10-24(36)31-16-29-13-22(28(38)30-4)34(23(29)14-29)25(37)15-33-27(19)21(12-20)26(32-33)18(3)35;1-17(2)20-11-19-9-7-5-6-8-10-24(36)31-16-29-13-22(28(38)30-4)34(23(29)14-29)25(37)15-33-27(19)21(12-20)26(32-33)18(3)35;1-16-10-18-8-6-4-5-7-9-22(34)29-15-27-12-20(26(36)28-3)32(21(27)13-27)23(35)14-31-25(18)19(11-16)24(30-31)17(2)33/h13-14,19,24-25H,5-12,15-18H2,1-4H3,(H,32,40)(H,33,38);11-12,17,22-23H,5-10,13-16H2,1-4H3,(H,30,38)(H,31,36);11-12,17,22-23H,5-10,13-16H2,1-4H3,(H,30,38)(H,31,36);10-11,20-21H,4-9,12-15H2,1-3H3,(H,28,36)(H,29,34)/t24-,25+,31-;2*22-,23+,29-;20-,21+,27-/m0000/s1.

What are the key properties of (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide?

(1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide has a molecular weight of 2102.65 g/mol, XLogP of 11.68, 14 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,22R,25S)-16-acetyl-N,13-dimethyl-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yloxy-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-4,20-dioxo-13-propan-2-yl-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide;(1R,22R,25S)-16-acetyl-N-methyl-13-(3-methylbutyl)-4,20-dioxo-3,17,18,21-tetrazapentacyclo[19.2.2.111,15.01,22.018,26]hexacosa-11(26),12,14,16-tetraene-25-carboxamide is sourced from PubChem (CID 167620335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).