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63245-28-3 | Etifenin
CAS No: 63245-28-3 Catalog No: AG003QJY MDL No:MFCD00059631
Product Description
Catalog Number:
AG003QJY
Chemical Name:
Etifenin
CAS Number:
63245-28-3
Molecular Formula:
C16H22N2O5
Molecular Weight:
322.3563
MDL Number:
MFCD00059631
IUPAC Name:
2-[carboxymethyl-[2-(2,6-diethylanilino)-2-oxoethyl]amino]acetic acid
InChI:
InChI=1S/C16H22N2O5/c1-3-11-6-5-7-12(4-2)16(11)17-13(19)8-18(9-14(20)21)10-15(22)23/h5-7H,3-4,8-10H2,1-2H3,(H,17,19)(H,20,21)(H,22,23)
InChI Key:
WNIDXAKKFOKNEF-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1NC(=O)CN(CC(=O)O)CC(=O)O)CC
EC Number:
264-041-8
UNII:
MH922908EB
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
322.361g/mol
Monoisotopic Mass:
322.153g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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