496-49-1 Purity
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Specification
The molecular formula is C11H21N3O5S.
It was created on 2015-02-16 and last modified on 2023-12-30.
The IUPAC name is (2R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methoxycarbonylsulfanylpropanoic acid.
The InChI is InChI=1S/C11H21N3O5S/c1-19-11(18)20-6-8(10(16)17)14-9(15)7(13)4-2-3-5-12/h7-8H,2-6,12-13H2,1H3,(H,14,15)(H,16,17)/t7-,8-/m0/s1.
The InChIKey is YFFWSBNJVSEWRX-YUMQZZPRSA-N.
It has 4 hydrogen bond donor counts.
The exact mass is 307.12019195 g/mol.
It has 11 rotatable bond counts.
Yes, the compound is canonicalized.
The topological polar surface area is 170Ų.