(7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione

C86H140N12O12 — CID 159261186

About (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione

(7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione (PubChem CID 159261186) has the molecular formula C86H140N12O12 and a molecular weight of 1534.14 g/mol. Its IUPAC name is (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione.

Molecular Properties

• Compound Name: (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione
• PubChem CID: 159261186
• Molecular Formula: C86H140N12O12
• Molecular Weight: 1534.14 g/mol
• Exact Mass: 1533.07
• IUPAC Name: (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione
• SMILES: CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@@H](C)O[C@H]2CCCC[C@H]2CCCNC1=O.CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@@H](C)Oc2ccccc2CC[C@H](C)NC1=O.CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CCCCC2)NC[C@H]2CCc3cccc(c3O2)CCCNC1=O
• InChI: InChI=1S/C31H48N4O4.C28H44N4O4.C27H48N4O4/c1-20(2)18-26-30(37)32-17-9-14-23-12-8-13-24-15-16-25(39-28(23)24)19-33-27(22-10-6-5-7-11-22)31(38)35(4)21(3)29(36)34-26;1-17(2)15-23-27(34)30-18(3)11-12-21-9-7-8-10-24(21)36-19(4)16-29-25(22-13-14-22)28(35)32(6)20(5)26(33)31-23;1-17(2)15-22-26(33)28-14-8-10-20-9-6-7-11-23(20)35-18(3)16-29-24(21-12-13-21)27(34)31(5)19(4)25(32)30-22/h8,12-13,20-22,25-27,33H,5-7,9-11,14-19H2,1-4H3,(H,32,37)(H,34,36);7-10,17-20,22-23,25,29H,11-16H2,1-6H3,(H,30,34)(H,31,33);17-24,29H,6-16H2,1-5H3,(H,28,33)(H,30,32)/t21-,25-,26-,27+;18-,19+,20+,23+,25-;18-,19-,20+,22-,23+,24+/m101/s1
• InChIKey: KWNJPMVVABEUMA-QIXYUCSXSA-N
• XLogP: 8.62
• TPSA: 299.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1534.14
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione?

The IUPAC name of (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione (CID 159261186) is (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione.

What is the SMILES notation for (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione?

The canonical SMILES for (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione is CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@@H](C)O[C@H]2CCCC[C@H]2CCCNC1=O.CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NC[C@@H](C)Oc2ccccc2CC[C@H](C)NC1=O.CC(C)C[C@H]1NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CCCCC2)NC[C@H]2CCc3cccc(c3O2)CCCNC1=O.

What is the InChIKey of (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione?

The InChIKey is KWNJPMVVABEUMA-QIXYUCSXSA-N. The full InChI is InChI=1S/C31H48N4O4.C28H44N4O4.C27H48N4O4/c1-20(2)18-26-30(37)32-17-9-14-23-12-8-13-24-15-16-25(39-28(23)24)19-33-27(22-10-6-5-7-11-22)31(38)35(4)21(3)29(36)34-26;1-17(2)15-23-27(34)30-18(3)11-12-21-9-7-8-10-24(21)36-19(4)16-29-25(22-13-14-22)28(35)32(6)20(5)26(33)31-23;1-17(2)15-22-26(33)28-14-8-10-20-9-6-7-11-23(20)35-18(3)16-29-24(21-12-13-21)27(34)31(5)19(4)25(32)30-22/h8,12-13,20-22,25-27,33H,5-7,9-11,14-19H2,1-4H3,(H,32,37)(H,34,36);7-10,17-20,22-23,25,29H,11-16H2,1-6H3,(H,30,34)(H,31,33);17-24,29H,6-16H2,1-5H3,(H,28,33)(H,30,32)/t21-,25-,26-,27+;18-,19+,20+,23+,25-;18-,19-,20+,22-,23+,24+/m101/s1.

What are the key properties of (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione?

(7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione has a molecular weight of 1534.14 g/mol, XLogP of 8.62, 9 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (7R,10R,13S,16R)-13-cyclohexyl-10,11-dimethyl-7-(2-methylpropyl)-24-oxa-5,8,11,14-tetrazatricyclo[14.6.2.019,23]tetracosa-1(23),19,21-triene-6,9,12-trione;(3R,6S,9R,12R,15S)-6-cyclopropyl-3,8,9,15-tetramethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione;(1S,3R,6S,9R,12R,18S)-6-cyclopropyl-3,8,9-trimethyl-12-(2-methylpropyl)-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosane-7,10,13-trione is sourced from PubChem (CID 159261186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).