Glu(OBzl)-OMe - CAS 57584-59-5

Catalog:	BB056170
Product Name:	Glu(OBzl)-OMe
CAS:	57584-59-5
Synonyms:	L- Glutamic Acid 1- Methyl 5- (Phenylmethyl) Ester; (S) - 5- Benzyl 1- Methyl 2- Aminopentanedioate

Technical Data

IUPAC Name:	5-O-benzyl 1-O-methyl (2S)-2-aminopentanedioate
Description:	Glu(OBzl)-OMe is a reagent used in the synthesis of cyclic tripeptides which act as potential inhibitors for HmG CoA reductase in the treatment of cardiovascular disease. Also a reagent in the preparation of bis(lactams) which may be used in polymers for organic solar cells.
Molecular Weight:	251.28
Molecular Formula:	C13H17NO4
Canonical SMILES:	COC(=O)C(CCC(=O)OCC1=CC=CC=C1)N
InChI:	InChI=1S/C13H17NO4/c1-17-13(16)11(14)7-8-12(15)18-9-10-5-3-2-4-6-10/h2-6,11H,7-9,14H2,1H3/t11-/m0/s1
InChI Key:	BINSDCQBEWYNGL-NSHDSACASA-N
References:	Chakraborty, S. et al. Amino Acids, 47, 1495 (2015); Springer, J. et al. Eur. J. Org. Chem., 2, 361 (2008); Rumer, J. et al. Thin Solid Films., 560, 82 (2014).

Complexity:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	251.11575802
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	251.11575802
Rotatable Bond Count:	8
Topological Polar Surface Area:	78.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9