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13716-89-7 | Glycine, L-α-glutamyl-
CAS No: 13716-89-7 Catalog No: AG0012VV MDL No:MFCD00037311
Product Description
Catalog Number:
AG0012VV
Chemical Name:
Glycine, L-α-glutamyl-
CAS Number:
13716-89-7
Molecular Formula:
C7H12N2O5
Molecular Weight:
204.1806
MDL Number:
MFCD00037311
IUPAC Name:
(4S)-4-amino-5-(carboxymethylamino)-5-oxopentanoic acid
InChI:
InChI=1S/C7H12N2O5/c8-4(1-2-5(10)11)7(14)9-3-6(12)13/h4H,1-3,8H2,(H,9,14)(H,10,11)(H,12,13)/t4-/m0/s1
InChI Key:
LSPKYLAFTPBWIL-BYPYZUCNSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)NCC(=O)O)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
204.182g/mol
Monoisotopic Mass:
204.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
Literature
| Title | Journal |
|---|---|
| Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. | Journal of medicinal chemistry 20060615 |
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