[(1S)-1-[(Methoxymethylamino)carbonyl]butyl]carbamic Acid Benzyl Ester - CAS 207728-22-1
Catalog: |
BB060142 |
Product Name: |
[(1S)-1-[(Methoxymethylamino)carbonyl]butyl]carbamic Acid Benzyl Ester |
CAS: |
207728-22-1 |
Synonyms: |
[(1S)-1-[(Methoxymethylamino)carbonyl]butyl]carbamic Acid Phenylmethyl Ester |
IUPAC Name: | benzyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxopentan-2-yl]carbamate |
Description: | Used in the preparation of Pepstatin A analogs. |
Molecular Weight: | 294.35 |
Molecular Formula: | C15H22N2O4 |
Canonical SMILES: | CCCC(C(=O)N(C)OC)NC(=O)OCC1=CC=CC=C1 |
InChI: | InChI=1S/C15H22N2O4/c1-4-8-13(14(18)17(2)20-3)16-15(19)21-11-12-9-6-5-7-10-12/h5-7,9-10,13H,4,8,11H2,1-3H3,(H,16,19)/t13-/m0/s1 |
InChI Key: | ZEIXIJCWVDGXTR-ZDUSSCGKSA-N |
Solubility: | Dichloromethane, Ethyl Acetate, Methanol |
References: | Kratzel, M. et al.; J. Med. Chem. 41, 2339 (1998). |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 294.15795719 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 294.15795719 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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