(7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone

C34H43N11O5 — CID 138809039

About (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone

(7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone (PubChem CID 138809039) has the molecular formula C34H43N11O5 and a molecular weight of 685.79 g/mol. Its IUPAC name is (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone.

Molecular Properties

• Compound Name: (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone
• PubChem CID: 138809039
• Molecular Formula: C34H43N11O5
• Molecular Weight: 685.79 g/mol
• Exact Mass: 685.34
• IUPAC Name: (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone
• SMILES: CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)Cn1cnnn1)CCNC3=O
• InChI: InChI=1S/C34H43N11O5/c1-22(2)16-29-39-26-11-10-25-18-28(26)45(29)14-7-12-35-32(48)23(3)38-34(50)27(17-24-8-5-4-6-9-24)40-30(46)19-43(15-13-36-33(25)49)31(47)20-44-21-37-41-42-44/h4-6,8-11,18,21-23,27H,7,12-17,19-20H2,1-3H3,(H,35,48)(H,36,49)(H,38,50)(H,40,46)/t23-,27+/m1/s1
• InChIKey: WYKPNMGQMAVLLZ-KCWPFWIISA-N
• XLogP: 0.23
• TPSA: 198.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.79
LogP ≤ 5	0.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone?

The IUPAC name of (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone (CID 138809039) is (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone.

What is the SMILES notation for (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone?

The canonical SMILES for (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone is CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)Cn1cnnn1)CCNC3=O.

What is the InChIKey of (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone?

The InChIKey is WYKPNMGQMAVLLZ-KCWPFWIISA-N. The full InChI is InChI=1S/C34H43N11O5/c1-22(2)16-29-39-26-11-10-25-18-28(26)45(29)14-7-12-35-32(48)23(3)38-34(50)27(17-24-8-5-4-6-9-24)40-30(46)19-43(15-13-36-33(25)49)31(47)20-44-21-37-41-42-44/h4-6,8-11,18,21-23,27H,7,12-17,19-20H2,1-3H3,(H,35,48)(H,36,49)(H,38,50)(H,40,46)/t23-,27+/m1/s1.

What are the key properties of (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone?

(7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone has a molecular weight of 685.79 g/mol, XLogP of 0.23, 6 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,10S)-10-benzyl-7-methyl-24-(2-methylpropyl)-14-[2-(tetrazol-1-yl)acetyl]-1,5,8,11,14,17,23-heptazatricyclo[17.5.2.022,25]hexacosa-19(26),20,22(25),23-tetraene-6,9,12,18-tetrone is sourced from PubChem (CID 138809039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).