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H-Pro-Asp-OH

CAS No.:
85227-98-1
Catalog Number:
AG008FUJ
Molecular Formula:
C9H14N2O5
Molecular Weight:
230.2179
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Product Description
Catalog Number:
AG008FUJ
Chemical Name:
H-Pro-Asp-OH
CAS Number:
85227-98-1
Molecular Formula:
C9H14N2O5
Molecular Weight:
230.2179
MDL Number:
MFCD00057886
IUPAC Name:
(2S)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanedioic acid
InChI:
InChI=1S/C9H14N2O5/c12-7(13)4-6(9(15)16)11-8(14)5-2-1-3-10-5/h5-6,10H,1-4H2,(H,11,14)(H,12,13)(H,15,16)/t5-,6-/m0/s1
InChI Key:
GLEOIKLQBZNKJZ-WDSKDSINSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
230.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
230.22g/mol
Monoisotopic Mass:
230.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.6  
Literature
Title Journal
Fragmental modeling of hPepT2 and analysis of its binding features by docking studies and pharmacophore mapping. Bioorganic & medicinal chemistry 20110801
Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. Journal of medicinal chemistry 20060615
Three-dimensional quantitative structure-activity relationship analyses of beta-lactam antibiotics and tripeptides as substrates of the mammalian H+/peptide cotransporter PEPT1. Journal of medicinal chemistry 20050630
Properties