N-L-Alanyl-L-glutamic Acid Bis(benzyl) Ester - CAS 87063-91-0

Catalog:	BB061257
Product Name:	N-L-Alanyl-L-glutamic Acid Bis(benzyl) Ester
CAS:	87063-91-0
Synonyms:	L-Alanyl-L-glutamic Acid Bis(phenylmethyl) Ester; N-L-Alanyl-L-glutamic Acid Bis(phenylmethyl) Ester

Technical Data

IUPAC Name:	dibenzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]pentanedioate
Description:	N-L-Alanyl-L-glutamic Acid Bis(benzyl) Ester is used in the preparation of alanine-glutamic dendrimer and other polypetides.
Molecular Weight:	398.45
Molecular Formula:	C22H26N2O5
Canonical SMILES:	CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N
InChI:	InChI=1S/C22H26N2O5/c1-16(23)21(26)24-19(22(27)29-15-18-10-6-3-7-11-18)12-13-20(25)28-14-17-8-4-2-5-9-17/h2-11,16,19H,12-15,23H2,1H3,(H,24,26)/t16-,19-/m0/s1
InChI Key:	UQRIFZCMNCZLJQ-LPHOPBHVSA-N
References:	Xia, X.-Y. et al. Zhong. Xin. Zaz., 20, 1813 (2011).

Complexity:	527
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	398.18417193
Formal Charge:	0
Heavy Atom Count:	29
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	398.18417193
Rotatable Bond Count:	12
Topological Polar Surface Area:	108Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2