(19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone

C41H49N7O6 — CID 134353687

About (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone

(19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone (PubChem CID 134353687) has the molecular formula C41H49N7O6 and a molecular weight of 735.89 g/mol. Its IUPAC name is (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone.

Molecular Properties

• Compound Name: (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone
• PubChem CID: 134353687
• Molecular Formula: C41H49N7O6
• Molecular Weight: 735.89 g/mol
• Exact Mass: 735.37
• IUPAC Name: (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone
• SMILES: CC(C)C[C@H]1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2ccc(cc2)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O
• InChI: InChI=1S/C41H49N7O6/c1-28(2)24-34-40(51)48-21-9-13-35(48)41(52)46(3)36(25-30-10-5-4-6-11-30)39(50)42-20-19-29-15-17-32(18-16-29)53-23-22-47-26-31(44-45-47)27-54-37-14-8-7-12-33(37)38(49)43-34/h4-8,10-12,14-18,26,28,34-36H,9,13,19-25,27H2,1-3H3,(H,42,50)(H,43,49)/t34-,35-,36+/m1/s1
• InChIKey: UNMNNDNIOBTXIQ-LBYVEUBFSA-N
• XLogP: 3.81
• TPSA: 147.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	735.89
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone?

The IUPAC name of (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone (CID 134353687) is (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone.

What is the SMILES notation for (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone?

The canonical SMILES for (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone is CC(C)C[C@H]1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2ccc(cc2)CCNC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H]2CCCN2C1=O.

What is the InChIKey of (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone?

The InChIKey is UNMNNDNIOBTXIQ-LBYVEUBFSA-N. The full InChI is InChI=1S/C41H49N7O6/c1-28(2)24-34-40(51)48-21-9-13-35(48)41(52)46(3)36(25-30-10-5-4-6-11-30)39(50)42-20-19-29-15-17-32(18-16-29)53-23-22-47-26-31(44-45-47)27-54-37-14-8-7-12-33(37)38(49)43-34/h4-8,10-12,14-18,26,28,34-36H,9,13,19-25,27H2,1-3H3,(H,42,50)(H,43,49)/t34-,35-,36+/m1/s1.

What are the key properties of (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone?

(19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone has a molecular weight of 735.89 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (19R,25R,28S)-28-benzyl-27-methyl-19-(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[31.2.2.15,8.011,16.021,25]octatriaconta-1(36),6,8(38),11,13,15,33(37),34-octaene-17,20,26,29-tetrone is sourced from PubChem (CID 134353687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).