2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-

Base Information

• Chemical Name: 2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-
• CAS No.: 610786-70-4
• Molecular Formula: C17H33ClN2O3
• Molecular Weight: 348.9
• Mol file: 610786-70-4.mol

Synonyms:610786-70-4;2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-;(S,E)-ethyl 4-((S)-2-amino-N,3,3-trimethylbutanamido)-2,5-dimethylhex-2-enoate hydrochloride;ODRXOMQLUFDMLT-OHFIRJTNSA-N;CS-M3267;AKOS037650545;CS-14952;ethyl (2E,4S)-2,5-dimethyl-4-[methyl(3-methyl-L-valyl)amino]hex-2-enoate hydrochloride;ethyl (2E,4S)-2,5-dimethyl4-[methyl(3-methyl-L-valyl)amino]hex-2-enoate hydrochloride;(S,E)-ethyl4-((S)-2-amino-N,3,3-trimethylbutanamido)-2,5-dimethylhex-2-enoatehydrochloride;ethyl (E,4S)-4-[[(2S)-2-amino-3,3-dimethylbutanoyl]-methylamino]-2,5-dimethylhex-2-enoate;hydrochloride

Chemical Property of 2-Hexenoic acid, 4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-, ethyl ester, monohydrochloride, (2E,4S)-

Chemical Property:

• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 348.2179706
• Heavy Atom Count: 23
• Complexity: 422

Purity/Quality:

2-Hexenoicacid,4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-,ethylester,monohydrochloride,(2E,4S)- 98.74% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(=CC(C(C)C)N(C)C(=O)C(C(C)(C)C)N)C.Cl
• Isomeric SMILES: CCOC(=O)/C(=C/[C@H](C(C)C)N(C)C(=O)[C@H](C(C)(C)C)N)/C.Cl