CAS
93964-68-2 Purity
96%
93964-68-2 Purity
96%
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Specification
The molecular formula is C26H28N2O10.
It was created on August 20, 2009.
The IUPAC name is bis[(2S)-2-(phenylmethoxycarbonylamino)propanoyl] butanedioate.
There are 38 heavy atoms.
The Canonical SMILES is CC(C(=O)OC(=O)CCC(=O)OC(=O)C(C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2.
There are 10 hydrogen bond acceptor counts.
The InChI key is NERZRZNSKHCWMQ-ROUUACIJSA-N.
The topological polar surface area is 163 Ų.
There are 17 rotatable bond counts.
Yes, the compound is canonicalized.