(2E,4S)-2,5-Dimethyl-4-[[(S)-2-amino-3,3-dimethylbutyryl]methylamino]-2-hexenoic acid ethyl ester

Base Information

• Chemical Name: (2E,4S)-2,5-Dimethyl-4-[[(S)-2-amino-3,3-dimethylbutyryl]methylamino]-2-hexenoic acid ethyl ester
• CAS No.: 187345-38-6
• Molecular Formula: C17H32N2O3
• Molecular Weight: 312.453
• DSSTox Substance ID: DTXSID201120061
• Nikkaji Number: J1.661.277D

Synonyms:SCHEMBL57769;LWKWBMKMTOYVDA-XMNZZIDVSA-N;DTXSID201120061;ethyl (2E,4S)-2,5-dimethyl-4-[methyl(3-methyl-L-valyl)amino]hex-2-enoate;ethyl (2E,4S)-2,5-dimethyl4-[methyl(3-methyl-L-valyl)amino]hex-2-enoate;(2E,4S)-2,5-Dimethyl-4-[[(S)-2-amino-3,3-dimethylbutyryl]methylamino]-2-hexenoic acid ethyl ester;187345-38-6;Ethyl (2E,4S)-4-[[(2S)-2-amino-3,3-dimethyl-1-oxobutyl]methylamino]-2,5-dimethyl-2-hexenoate

Chemical Property of (2E,4S)-2,5-Dimethyl-4-[[(S)-2-amino-3,3-dimethylbutyryl]methylamino]-2-hexenoic acid ethyl ester

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 312.24129289
• Heavy Atom Count: 22
• Complexity: 422

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MSDS Files:

Useful:

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

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