| CAS Number | 134015-93-3 |
| Catalog Number | AG009WQM(AGN-PC-0WAESN) |
| Chemical Name | Phenyl L-Z-Isoleucinamide |
| IUPAC Name | benzyl N-[(2S,3S)-1-anilino-3-methyl-1-oxopentan-2-yl]carbamate |
| InChI | InChI=1S/C20H24N2O3/c1-3-15(2)18(19(23)21-17-12-8-5-9-13-17)22-20(24)25-14-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,23)(H,22,24)/t15-,18-/m0/s1 |
| InChI Key | OYDMDVAWACLEQO-YJBOKZPZSA-N |
| MDL Number | MFCD22689106 |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.4162 |
| SMILES | CC[C@@H]([C@@H](C(=O)Nc1ccccc1)NC(=O)OCc1ccccc1)C |
| Synonyms | Phenyl L-Z-Isoleucinamide,
134015-93-3,
ZINC5292241,
K-4221,
BENZYL N-[(1S,2S)-2-METHYL-1-(PHENYLCARBAMOYL)BUTYL]CARBAMATE,
ZINC05292241,
CID7610239,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.423g/mol |
| Monoisotopic Mass | 340.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
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