(2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
Formula:C18H27N2O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate is a drug-like molecule.
| MolName | (2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate |
| MolecularFormula | C18H27N2O6S |
| Smiles | CC(C)(C)OC(N[C@@H](CCCCNS(c1ccc(C)cc1)(=O)=O)C([O-])=O)=O |
| InChI | InChI=1S/C18H28N2O6S/c1-13-8-10-14(11-9-13)27(24,25)19-12-6-5-7-15(16(21)22)20-17(23)26-18(2,3)4/h8-11,15,19H,5-7,12H2,1-4H3,(H,20,23)(H,21,22)/p-1/t15-/m0/s1 |
| InChIK | HSTSERPPSSLPFN-HNNXBMFYSA-M |
| TotalMolweight | 399.486 |
| Molweight | 399.486 |
| MonoisotopicMass | 399.158983 |
| CLogP | 0.3385 |
| CLogS | -3.345 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 304.78 |
| Relative PSA | 0.33421 |
| PolarSurfaceArea | 133.01 |
| Druglikeness | -60.332 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 10 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
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1 - (2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate | 2 - (2S)-6-[(4-methylphenyl)sulfonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
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