[(1S)-3-Methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]-carbamic Acid 1,1-Dimethylethyl Ester - CAS 247068-83-3
Catalog: |
BB076034 |
Product Name: |
[(1S)-3-Methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]-carbamic Acid 1,1-Dimethylethyl Ester |
CAS: |
247068-83-3 |
Synonyms: |
tert-Butyl ((S)-4-methyl-1-((S)-2-methyloxiran-2-yl)-1-oxopentan-2-yl)carbamate; Carbamic acid, N-[(1S)-3-methyl-1-[[(2S)-2-methyl-2-oxiranyl]carbonyl]butyl]-, 1,1-dimethylethyl ester; tert-butyl (S)-4-methyl-1-((S)-2-methyloxiran-2-yl)-1-oxopentan-2-ylcarbamate; [(1S)-3-Methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]carbamic acid 1,1-dimethylethyl ester; tert-butyl N-[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate; [(1S)-3-Methyl-1-[[(2S)-2-methyloxiranyl]carbonyl]butyl]-carbamic Acid 1,1-Dimethylethyl Ester; Carfilzomib-intermediate |
IUPAC Name: | tert-butyl N-[(2S)-4-methyl-1-[(2S)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]carbamate |
Molecular Weight: | 271.35 |
Molecular Formula: | C14H25NO4 |
Canonical SMILES: | CC(C)CC(C(=O)C1(CO1)C)NC(=O)OC(C)(C)C |
InChI: | InChI=1S/C14H25NO4/c1-9(2)7-10(11(16)14(6)8-18-14)15-12(17)19-13(3,4)5/h9-10H,7-8H2,1-6H3,(H,15,17)/t10-,14-/m0/s1 |
InChI Key: | DDMPMIMTLBGEHT-HZMBPMFUSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.17835828 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.17835828 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 67.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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