About (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide
(2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide (PubChem CID 20658004) has the molecular formula C27H41N5O4
and a molecular weight of 499.66 g/mol. Its IUPAC name is (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide.
Molecular Properties
| Compound Name | (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide |
|---|
| PubChem CID | 20658004 |
|---|
| Molecular Formula | C27H41N5O4 |
|---|
| Molecular Weight | 499.66 g/mol |
|---|
| Exact Mass | 499.32 |
|---|
| IUPAC Name | (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide |
|---|
| SMILES | CC[C@H](C)CN(C(=O)Cn1ccnc1)N(C(=O)CCC(C)C)[C@@H](CCCc1ccccc1)C(=O)NO |
|---|
| InChI | InChI=1S/C27H41N5O4/c1-5-22(4)18-31(26(34)19-30-17-16-28-20-30)32(25(33)15-14-21(2)3)24(27(35)29-36)13-9-12-23-10-7-6-8-11-23/h6-8,10-11,16-17,20-22,24,36H,5,9,12-15,18-19H2,1-4H3,(H,29,35)/t22-,24-/m0/s1 |
|---|
| InChIKey | NGLUFDJZRVUEMQ-UPVQGACJSA-N |
|---|
| XLogP | 3.83 |
|---|
| TPSA | 107.77 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 14 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 499.66 |
| LogP ≤ 5 | 3.83 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|
Analyze (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide?
The IUPAC name of (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide (CID 20658004) is (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide.
What is the SMILES notation for (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide?
The canonical SMILES for (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide is CC[C@H](C)CN(C(=O)Cn1ccnc1)N(C(=O)CCC(C)C)[C@@H](CCCc1ccccc1)C(=O)NO.
What is the InChIKey of (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide?
The InChIKey is NGLUFDJZRVUEMQ-UPVQGACJSA-N. The full InChI is InChI=1S/C27H41N5O4/c1-5-22(4)18-31(26(34)19-30-17-16-28-20-30)32(25(33)15-14-21(2)3)24(27(35)29-36)13-9-12-23-10-7-6-8-11-23/h6-8,10-11,16-17,20-22,24,36H,5,9,12-15,18-19H2,1-4H3,(H,29,35)/t22-,24-/m0/s1.
What are the key properties of (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide?
(2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide has a molecular weight of 499.66 g/mol, XLogP of 3.83, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-hydroxy-2-[[(2-imidazol-1-ylacetyl)-[(2S)-2-methylbutyl]amino]-(4-methylpentanoyl)amino]-5-phenylpentanamide is sourced from PubChem (CID 20658004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).