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Specification
The molecular formula is C12H26N6O3.
The synonyms are SCHEMBL6806494, JQFZHHSQMKZLRU-UHFFFAOYSA-N, and RK FT-0773845.
The molecular weight is 302.37 g/mol.
The IUPAC name is 6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid.
The InChI is InChI=1S/C12H26N6O3/c13-6-2-1-5-9(11(20)21)18-10(19)8(14)4-3-7-17-12(15)16/h8-9H,1-7,13-14H2,(H,18,19)(H,20,21)(H4,15,16,17).
The InChIKey is JQFZHHSQMKZLRU-UHFFFAOYSA-N.
The canonical SMILES is C(CCN)CC(C(=O)O)NC(=O)C(CCCN=C(N)N)N.
The XLogP3-AA value is -4.7.
It has 6 hydrogen bond donor counts.
The topological polar surface area is 183Ų.