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138738-22-4 | Glycine, N-(N-benzoylvalyl)- (9CI)
CAS No: 138738-22-4 Catalog No: AG0019G5 MDL No:
Product Description
Catalog Number:
AG0019G5
Chemical Name:
Glycine, N-(N-benzoylvalyl)- (9CI)
CAS Number:
138738-22-4
Molecular Formula:
C14H18N2O4
Molecular Weight:
278.3037
IUPAC Name:
2-[(2-benzamido-3-methylbutanoyl)amino]acetic acid
InChI:
InChI=1S/C14H18N2O4/c1-9(2)12(14(20)15-8-11(17)18)16-13(19)10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,15,20)(H,16,19)(H,17,18)
InChI Key:
DUUHVKVJOKOUEU-UHFFFAOYSA-N
SMILES:
OC(=O)CNC(=O)[C@H](C(C)C)NC(=O)c1ccccc1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.308g/mol
Monoisotopic Mass:
278.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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