| CAS Number | 1820569-48-9 |
| Catalog Number | AG00I0C9(AGN-PC-0WOCAT) |
| Chemical Name | 3-Methoxypropyl N-(benzyloxycarbonyl)-L-Leucinamide |
| IUPAC Name | benzyl N-[(2S)-1-(3-methoxypropylamino)-4-methyl-1-oxopentan-2-yl]carbamate |
| InChI | InChI=1S/C18H28N2O4/c1-14(2)12-16(17(21)19-10-7-11-23-3)20-18(22)24-13-15-8-5-4-6-9-15/h4-6,8-9,14,16H,7,10-13H2,1-3H3,(H,19,21)(H,20,22)/t16-/m0/s1 |
| InChI Key | CXHSBLWRRRVSFO-INIZCTEOSA-N |
| MDL Number | MFCD26131149 |
| Molecular Formula | C18H28N2O4 |
| Molecular Weight | 336.4259 |
| SMILES | COCCCNC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C |
| Synonyms | 3-METHOXYPROPYL N-(BENZYLOXYCARBONYL)-L-LEUCINAMIDE,
1820569-48-9,
KM3958,
ZINC95495683,
Y2596,
C18H28N2O4,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.205g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.432g/mol |
| Monoisotopic Mass | 336.205g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 76.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number