N-(2-Pyrazinylcarbonyl)-D-phenylalanine - CAS 1608986-16-8

Name: N-(2-Pyrazinylcarbonyl)-D-phenylalanine
Brand: BOC Sciences
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Catalog:	BB057974
Product Name:	N-(2-Pyrazinylcarbonyl)-D-phenylalanine
CAS:	1608986-16-8
Synonyms:	(R)-3-Phenyl-2-(pyrazine-2-carboxamido)propanoic acid; N-(2-Pyrazinylcarbonyl)-D-phenylalanine; (2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid; N-PYRAZINYLCARBONYLPHENYLALANINE; D-Phenylalanine, N-(2-pyrazinylcarbonyl)-

Technical Data

IUPAC Name:	(2R)-3-phenyl-2-(pyrazine-2-carbonylamino)propanoic acid
Description:	N-(2-Pyrazinylcarbonyl)-D-phenylalanine is an starting intermediate in the synthesis of Bortezomib (B675700) from L-phenylalanine via dipeptidyl boronic acid ester intermediates.
Molecular Weight:	271.27
Molecular Formula:	C14H13N3O3
Canonical SMILES:	C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=CN=C2
InChI:	InChI=1S/C14H13N3O3/c18-13(12-9-15-6-7-16-12)17-11(14(19)20)8-10-4-2-1-3-5-10/h1-7,9,11H,8H2,(H,17,18)(H,19,20)/t11-/m1/s1
InChI Key:	DWYZPDHMMZGQAP-LLVKDONJSA-N
Solubility:	Methanol
Appearance:	Yellowish Powder
References:	Zhu, Y., et al. J. Med. Chem., 52, 4192 (2009),.

Complexity:	343
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	271.09569129
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	271.09569129
Rotatable Bond Count:	5
Topological Polar Surface Area:	92.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1