CAS 23576-42-3 | Glycine, L-phenylalanylglycyl- | CAS Number 23576-42-3

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23576-42-3 | Glycine, L-phenylalanylglycyl-

CAS No: 23576-42-3 Catalog No: AG002NQI MDL No:MFCD00037785

Product Description

Catalog Number:

AG002NQI

Chemical Name:

Glycine, L-phenylalanylglycyl-

CAS Number:

23576-42-3

Molecular Formula:

C13H17N3O4

Molecular Weight:

279.2918

MDL Number:

MFCD00037785

IUPAC Name:

2-[[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]acetyl]amino]acetic acid

InChI:

InChI=1S/C13H17N3O4/c14-10(6-9-4-2-1-3-5-9)13(20)16-7-11(17)15-8-12(18)19/h1-5,10H,6-8,14H2,(H,15,17)(H,16,20)(H,18,19)/t10-/m0/s1

InChI Key:

NAXPHWZXEXNDIW-JTQLQIEISA-N

SMILES:

N[C@H](C(=O)NCC(=O)NCC(=O)O)Cc1ccccc1

Properties

Complexity:

354

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

279.122g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

279.296g/mol

Monoisotopic Mass:

279.122g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-3.2

Literature

Title	Journal
Limitations of electrospray ionization in the analysis of a heterogeneous mixture of naturally occurring hydrophilic and hydrophobic compounds.	Rapid communications in mass spectrometry : RCM 20101115
Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.	Physical chemistry chemical physics : PCCP 20070714
The effect of alkaline phosphatase inhibitors on intracellular lipid accumulation in preadipocytes isolated from human mammary tissue.	Annals of clinical biochemistry 20060501
Thermal vaporization of biological nanoparticles: fragment-free vacuum ultraviolet photoionization mass spectra of tryptophan, phenylalanine-glycine-glycine, and beta-carotene.	The journal of physical chemistry. A 20060216
Structure and IR spectrum of phenylalanyl-glycyl-glycine tripetide in the gas-phase: IR/UV experiments, ab initio quantum chemical calculations, and molecular dynamic simulations.	Chemistry (Weinheim an der Bergstrasse, Germany) 20051118
Spectroscopic evidence for gas-phase formation of successive beta-turns in a three-residue peptide chain.	Journal of the American Chemical Society 20050209