(25R,28S)-30-methyl-19,28-bis(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

C38H51N7O6 — CID 142307281

About (25R,28S)-30-methyl-19,28-bis(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

(25R,28S)-30-methyl-19,28-bis(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 142307281) has the molecular formula C38H51N7O6 and a molecular weight of 701.87 g/mol. Its IUPAC name is (25R,28S)-30-methyl-19,28-bis(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: (25R,28S)-30-methyl-19,28-bis(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: 142307281
• Molecular Formula: C38H51N7O6
• Molecular Weight: 701.87 g/mol
• Exact Mass: 701.39
• IUPAC Name: (25R,28S)-30-methyl-19,28-bis(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)CC1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2ccc(cc2)CCN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C1=O
• InChI: InChI=1S/C38H51N7O6/c1-25(2)21-31-37(48)43(5)18-16-27-12-14-29(15-13-27)50-20-19-44-23-28(41-42-44)24-51-34-11-7-6-9-30(34)35(46)39-32(22-26(3)4)38(49)45-17-8-10-33(45)36(47)40-31/h6-7,9,11-15,23,25-26,31-33H,8,10,16-22,24H2,1-5H3,(H,39,46)(H,40,47)/t31-,32?,33+/m0/s1
• InChIKey: RWNQMFGLXWPNQG-LJTKZVQESA-N
• XLogP: 3.62
• TPSA: 147.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.87
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (25R,28S)-30-methyl-19,28-bis(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 (25R,28S)-30-methyl-19,28-bis(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 142307281) is (25R,28S)-30-methyl-19,28-bis(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 (25R,28S)-30-methyl-19,28-bis(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 (25R,28S)-30-methyl-19,28-bis(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)CC1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2ccc(cc2)CCN(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H]2CCCN2C1=O.

What is the InChIKey of (25R,28S)-30-methyl-19,28-bis(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 RWNQMFGLXWPNQG-LJTKZVQESA-N. The full InChI is InChI=1S/C38H51N7O6/c1-25(2)21-31-37(48)43(5)18-16-27-12-14-29(15-13-27)50-20-19-44-23-28(41-42-44)24-51-34-11-7-6-9-30(34)35(46)39-32(22-26(3)4)38(49)45-17-8-10-33(45)36(47)40-31/h6-7,9,11-15,23,25-26,31-33H,8,10,16-22,24H2,1-5H3,(H,39,46)(H,40,47)/t31-,32?,33+/m0/s1.

What are the key properties of (25R,28S)-30-methyl-19,28-bis(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?

(25R,28S)-30-methyl-19,28-bis(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 701.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (25R,28S)-30-methyl-19,28-bis(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 142307281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).