(2S)-3-Methyl-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoyl]amino]butyric acid

Base Information

• Chemical Name: (2S)-3-Methyl-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoyl]amino]butyric acid
• CAS No.: 61348-61-6
• Molecular Formula: C16H30N2O5
• Molecular Weight: 330.425
• DSSTox Substance ID: DTXSID40447839
• Nikkaji Number: J2.154.531G
• Wikidata: Q82266729

Synonyms:CTK2E1878;61348-61-6;Boc-NH-Ile-Val-OH;DTXSID40447839;NKVPRAMPBUVZHC-SRVKXCTJSA-N;(2S)-3-Methyl-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoyl]amino]butyric acid

Chemical Property of (2S)-3-Methyl-2-[[(2S,3S)-2-(tert-butoxycarbonylamino)-3-methylpentanoyl]amino]butyric acid

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 330.21547206
• Heavy Atom Count: 23
• Complexity: 429

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)OC(C)(C)C

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