885279-23-2 Purity
97%
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Specification
The molecular formula is C21H31ClN6O3.
It was first created on October 25, 2006.
The molecular weight is 451.0 g/mol.
The IUPAC name is (2R)-N-[(2S)-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide.
The InChIKey is HCCRRLVJBLDSLL-BBWFWOEESA-N.
The Canonical SMILES is C1CC(NC1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)CCl.
The XLogP3 value is -0.5.
There are 5 hydrogen bond donor counts.
The topological polar surface area is 152 Ų.
There are 3 defined atom stereocenter counts.