Diornithine - CAS 60259-82-7

Catalog:	BB068353
Product Name:	Diornithine
CAS:	60259-82-7
Synonyms:	L-Ornithyl-L-ornithine; N2-L-ornithyl-L-Ornithine; Ornithine condensation

Technical Data

IUPAC Name:	(2S)-5-amino-2-[[(2S)-2,5-diaminopentanoyl]amino]pentanoic acid
Description:	Diornithine is an analogue of L-Orthinine (O695550), a non essential amino acid and intermediate in arginine biosynthesis. It can be used in the enzymatic preparation of N-BOC-5-hydroxy-L-proline, and N-Cbz-5-hydroxy-L-proline, which are alternative key intermediates for the synthesis of Saxagliptin (S143500), used for the treatment of type II diabetes mellitus.
Molecular Weight:	246.31
Molecular Formula:	C10H22N4O3
Canonical SMILES:	C(CC(C(=O)NC(CCCN)C(=O)O)N)CN
InChI:	InChI=1S/C10H22N4O3/c11-5-1-3-7(13)9(15)14-8(10(16)17)4-2-6-12/h7-8H,1-6,11-13H2,(H,14,15)(H,16,17)/t7-,8-/m0/s1
InChI Key:	OECHUGCITYQGCY-YUMQZZPRSA-N
References:	Hanson, R. L., Enzyme and Microbial Technology, 48, 445 (2011); Feng, J., et al. J. Med. Chem., 50, 2297 (2007).

Complexity:	248
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	246.16919058
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	5
Isotope Atom Count:	0
Monoisotopic Mass:	246.16919058
Rotatable Bond Count:	9
Topological Polar Surface Area:	145Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-5.3