(2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane

C43H72N4O5 — CID 163988523

About (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane

(2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane (PubChem CID 163988523) has the molecular formula C43H72N4O5 and a molecular weight of 726.08 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane.

Molecular Properties

• Compound Name: (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane
• PubChem CID: 163988523
• Molecular Formula: C43H72N4O5
• Molecular Weight: 726.08 g/mol
• Exact Mass: 725.56
• IUPAC Name: (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane
• SMILES: CC.CC.CCCC(CC(=O)CC1CC1)CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](CC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C.[H][2H]
• InChI: InChI=1S/C39H58N4O5.2C2H6.H2/c1-5-10-26(20-29(44)19-25-15-16-25)21-34(46)35-30-14-9-13-28(30)24-43(35)38(48)36(39(2,3)4)42-37(47)31(27-11-7-6-8-12-27)22-33(45)32-23-40-17-18-41-32;2*1-2;/h17-18,23,25-28,30-31,35-36H,5-16,19-22,24H2,1-4H3,(H,42,47);2*1-2H3;1H/t26?,28-,30-,31-,35-,36+;;;/m0.../s1/i;;;1+1
• InChIKey: TYNFQTLZDYAMTO-CPZIDFFJSA-N
• XLogP: 8.84
• TPSA: 126.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	726.08
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane?

The IUPAC name of (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane (CID 163988523) is (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane.

What is the SMILES notation for (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane?

The canonical SMILES for (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane is CC.CC.CCCC(CC(=O)CC1CC1)CC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)[C@@H](NC(=O)[C@@H](CC(=O)c1cnccn1)C1CCCCC1)C(C)(C)C.[H][2H].

What is the InChIKey of (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane?

The InChIKey is TYNFQTLZDYAMTO-CPZIDFFJSA-N. The full InChI is InChI=1S/C39H58N4O5.2C2H6.H2/c1-5-10-26(20-29(44)19-25-15-16-25)21-34(46)35-30-14-9-13-28(30)24-43(35)38(48)36(39(2,3)4)42-37(47)31(27-11-7-6-8-12-27)22-33(45)32-23-40-17-18-41-32;2*1-2;/h17-18,23,25-28,30-31,35-36H,5-16,19-22,24H2,1-4H3,(H,42,47);2*1-2H3;1H/t26?,28-,30-,31-,35-,36+;;;/m0.../s1/i;;;1+1.

What are the key properties of (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane?

(2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane has a molecular weight of 726.08 g/mol, XLogP of 8.84, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S)-1-[(3S,3aS,6aR)-3-(6-cyclopropyl-5-oxo-3-propylhexanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2-cyclohexyl-4-oxo-4-pyrazin-2-ylbutanamide;deuterium monohydride;ethane is sourced from PubChem (CID 163988523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).