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26049-94-5 | Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
CAS No: 26049-94-5 Catalog No: AG002RID MDL No:MFCD00037114
Product Description
Catalog Number:
AG002RID
Chemical Name:
Carbamic acid, N-[(1S)-3-chloro-2-oxo-1-(phenylmethyl)propyl]-, phenylmethyl ester
CAS Number:
26049-94-5
Molecular Formula:
C18H18ClNO3
Molecular Weight:
331.7934
MDL Number:
MFCD00037114
IUPAC Name:
benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate
InChI:
InChI=1S/C18H18ClNO3/c19-12-17(21)16(11-14-7-3-1-4-8-14)20-18(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,22)/t16-/m0/s1
InChI Key:
OYHLRJGDELITAF-INIZCTEOSA-N
SMILES:
ClCC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
EC Number:
247-432-8
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
331.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.796g/mol
Monoisotopic Mass:
331.098g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. | Nature chemical biology 20091001 |
| 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 |
| Sustained ER Ca2+ depletion suppresses protein synthesis and induces activation-enhanced cell death in mast cells. | The Journal of biological chemistry 20020419 |
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