(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

C26H34ClN3O4 — CID 163905780

About (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (PubChem CID 163905780) has the molecular formula C26H34ClN3O4 and a molecular weight of 488.03 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• PubChem CID: 163905780
• Molecular Formula: C26H34ClN3O4
• Molecular Weight: 488.03 g/mol
• Exact Mass: 487.22
• IUPAC Name: (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• SMILES: CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(N)=O
• InChI: InChI=1S/C26H34ClN3O4/c1-26(2,3)14-17(12-23(32)20-10-15-8-9-18(27)13-19(15)29-20)25(34)30-21(24(28)33)11-16-6-4-5-7-22(16)31/h8-10,13,16-17,21,29H,4-7,11-12,14H2,1-3H3,(H2,28,33)(H,30,34)/t16-,17-,21-/m0/s1
• InChIKey: FYRISMRVPKWSFE-FIKGOQFSSA-N
• XLogP: 4.57
• TPSA: 122.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.03
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The IUPAC name of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (CID 163905780) is (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

What is the SMILES notation for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The canonical SMILES for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)cc2[nH]1)C(=O)N[C@@H](C[C@@H]1CCCCC1=O)C(N)=O.

What is the InChIKey of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The InChIKey is FYRISMRVPKWSFE-FIKGOQFSSA-N. The full InChI is InChI=1S/C26H34ClN3O4/c1-26(2,3)14-17(12-23(32)20-10-15-8-9-18(27)13-19(15)29-20)25(34)30-21(24(28)33)11-16-6-4-5-7-22(16)31/h8-10,13,16-17,21,29H,4-7,11-12,14H2,1-3H3,(H2,28,33)(H,30,34)/t16-,17-,21-/m0/s1.

What are the key properties of (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

(2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide has a molecular weight of 488.03 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(2S)-1-amino-1-oxo-3-[(1S)-2-oxocyclohexyl]propan-2-yl]-2-[2-(6-chloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 163905780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).