About (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride
(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride (PubChem CID 86575975) has the molecular formula C23H45FN4O5S
and a molecular weight of 508.70 g/mol. Its IUPAC name is (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride.
Molecular Properties
| Compound Name | (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride |
|---|
| PubChem CID | 86575975 |
|---|
| Molecular Formula | C23H45FN4O5S |
|---|
| Molecular Weight | 508.70 g/mol |
|---|
| Exact Mass | 508.31 |
|---|
| IUPAC Name | (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride |
|---|
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)S(=O)(=O)F |
|---|
| InChI | InChI=1S/C23H45FN4O5S/c1-13(2)9-17(25)21(29)26-18(10-14(3)4)22(30)27-19(11-15(5)6)23(31)28-20(12-16(7)8)34(24,32)33/h13-20H,9-12,25H2,1-8H3,(H,26,29)(H,27,30)(H,28,31)/t17-,18-,19-,20+/m0/s1 |
|---|
| InChIKey | MNLYXUJVGCFHPD-LWYYNNOASA-N |
|---|
| XLogP | 2.21 |
|---|
| TPSA | 147.46 Ų |
|---|
| H-Bond Donors | 4 |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 15 |
|---|
| Heavy Atoms | 34 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 508.70 |
| LogP ≤ 5 | 2.21 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride 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 (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride?
The IUPAC name of (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride (CID 86575975) is (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride.
What is the SMILES notation for (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride?
The canonical SMILES for (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride is CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CC(C)C)S(=O)(=O)F.
What is the InChIKey of (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride?
The InChIKey is MNLYXUJVGCFHPD-LWYYNNOASA-N. The full InChI is InChI=1S/C23H45FN4O5S/c1-13(2)9-17(25)21(29)26-18(10-14(3)4)22(30)27-19(11-15(5)6)23(31)28-20(12-16(7)8)34(24,32)33/h13-20H,9-12,25H2,1-8H3,(H,26,29)(H,27,30)(H,28,31)/t17-,18-,19-,20+/m0/s1.
What are the key properties of (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride?
(1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride has a molecular weight of 508.70 g/mol, XLogP of 2.21, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutane-1-sulfonyl fluoride is sourced from PubChem (CID 86575975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).