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18800-74-3 | Pentanoic acid, 5-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-oxo-, (4S)-
CAS No: 18800-74-3 Catalog No: AG002GN8 MDL No:MFCD00070081
Product Description
Catalog Number:
AG002GN8
Chemical Name:
Pentanoic acid, 5-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-5-oxo-, (4S)-
CAS Number:
18800-74-3
Molecular Formula:
C10H18N2O5
Molecular Weight:
246.2603
MDL Number:
MFCD00070081
IUPAC Name:
(4S)-5-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(11)15)4-5-7(13)14/h6H,4-5H2,1-3H3,(H2,11,15)(H,12,16)(H,13,14)/t6-/m0/s1
InChI Key:
GMZBDBBBJXGPIH-LURJTMIESA-N
SMILES:
OC(=O)CC[C@@H](C(=O)N)NC(=O)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
246.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
246.263g/mol
Monoisotopic Mass:
246.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of novel photoreactive alpha-amino acid analog carrying acidic and cleavable functions. | Bioorganic & medicinal chemistry letters 20090101 |
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