(19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone

C37H49N7O6 — CID 134353870

About (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone

(19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone (PubChem CID 134353870) has the molecular formula C37H49N7O6 and a molecular weight of 687.84 g/mol. Its IUPAC name is (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone.

Molecular Properties

• Compound Name: (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone
• PubChem CID: 134353870
• Molecular Formula: C37H49N7O6
• Molecular Weight: 687.84 g/mol
• Exact Mass: 687.37
• IUPAC Name: (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone
• SMILES: CC(C)C[C@H]1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2cccc(c2)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O
• InChI: InChI=1S/C37H49N7O6/c1-24(2)18-30-36(47)44-15-9-13-31(44)37(48)42(5)32(19-25(3)4)35(46)38-21-26-10-8-11-28(20-26)49-17-16-43-22-27(40-41-43)23-50-33-14-7-6-12-29(33)34(45)39-30/h6-8,10-12,14,20,22,24-25,30-32H,9,13,15-19,21,23H2,1-5H3,(H,38,46)(H,39,45)/t30-,31-,32+/m1/s1
• InChIKey: YCWPQQIGHMIQGL-IWWXRALLSA-N
• XLogP: 3.57
• TPSA: 147.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	687.84
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone?

The IUPAC name of (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone (CID 134353870) is (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone.

What is the SMILES notation for (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone?

The canonical SMILES for (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone is CC(C)C[C@H]1NC(=O)c2ccccc2OCc2cn(nn2)CCOc2cccc(c2)CNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H]2CCCN2C1=O.

What is the InChIKey of (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone?

The InChIKey is YCWPQQIGHMIQGL-IWWXRALLSA-N. The full InChI is InChI=1S/C37H49N7O6/c1-24(2)18-30-36(47)44-15-9-13-31(44)37(48)42(5)32(19-25(3)4)35(46)38-21-26-10-8-11-28(20-26)49-17-16-43-22-27(40-41-43)23-50-33-14-7-6-12-29(33)34(45)39-30/h6-8,10-12,14,20,22,24-25,30-32H,9,13,15-19,21,23H2,1-5H3,(H,38,46)(H,39,45)/t30-,31-,32+/m1/s1.

What are the key properties of (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone?

(19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone has a molecular weight of 687.84 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (19R,25R,28S)-27-methyl-19,28-bis(2-methylpropyl)-2,10-dioxa-5,6,7,18,21,27,30-heptazapentacyclo[30.3.1.15,8.011,16.021,25]heptatriaconta-1(35),6,8(37),11,13,15,32(36),33-octaene-17,20,26,29-tetrone is sourced from PubChem (CID 134353870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).