(4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

C35H41N7O6 — CID 137335711

About (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone

(4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone (PubChem CID 137335711) has the molecular formula C35H41N7O6 and a molecular weight of 655.76 g/mol. Its IUPAC name is (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone.

Molecular Properties

• Compound Name: (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone
• PubChem CID: 137335711
• Molecular Formula: C35H41N7O6
• Molecular Weight: 655.76 g/mol
• Exact Mass: 655.31
• IUPAC Name: (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone
• SMILES: CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cn(C)c3ccccc23)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O
• InChI: InChI=1S/C35H41N7O6/c1-21(2)16-27-33(45)39-28(17-23-10-6-5-7-11-23)32(44)36-14-15-42(35(47)26-20-41(4)30-13-9-8-12-25(26)30)19-24-18-29(40-48-24)34(46)37-22(3)31(43)38-27/h5-13,18,20-22,27-28H,14-17,19H2,1-4H3,(H,36,44)(H,37,46)(H,38,43)(H,39,45)/t22-,27-,28-/m1/s1
• InChIKey: BFNOWHQCIVNUMH-MWVDVNALSA-N
• XLogP: 2.32
• TPSA: 167.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	655.76
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone?

The IUPAC name of (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone (CID 137335711) is (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone.

What is the SMILES notation for (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone?

The canonical SMILES for (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone is CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cn(C)c3ccccc23)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O.

What is the InChIKey of (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone?

The InChIKey is BFNOWHQCIVNUMH-MWVDVNALSA-N. The full InChI is InChI=1S/C35H41N7O6/c1-21(2)16-27-33(45)39-28(17-23-10-6-5-7-11-23)32(44)36-14-15-42(35(47)26-20-41(4)30-13-9-8-12-25(26)30)19-24-18-29(40-48-24)34(46)37-22(3)31(43)38-27/h5-13,18,20-22,27-28H,14-17,19H2,1-4H3,(H,36,44)(H,37,46)(H,38,43)(H,39,45)/t22-,27-,28-/m1/s1.

What are the key properties of (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone?

(4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone has a molecular weight of 655.76 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,7R,10R)-10-benzyl-4-methyl-15-(1-methylindole-3-carbonyl)-7-(2-methylpropyl)-18-oxa-3,6,9,12,15,19-hexazabicyclo[15.2.1]icosa-1(19),17(20)-diene-2,5,8,11-tetrone is sourced from PubChem (CID 137335711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).