94820-63-0 Purity
96%
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Specification
The molecular formula is C22H34N4O7.
The molecular weight is 466.5 g/mol.
Some synonyms include 94825-17-9, DTXSID90745610, and [des-Tyr1, D-Ala2, D-Leu5]-Enkephalin acetate salt.
The IUPAC name is acetic acid;(2R)-2-[[(2S)-2-[[2-[[(2R)-2-aminopropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid.
The InChIKey is POCSHNDUXQGTFY-YFBGFLEQSA-N.
The Canonical SMILES is CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)N.CC(=O)O.
There are 6 hydrogen bond donor counts.
There are 8 hydrogen bond acceptor counts.
The topological polar surface area is 188 Å2.
Yes, DES-TYR1,(D-ALA2, D-LEU5)-ENKEPHALIN*ACE TATE is a canonicalized compound.