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824938-53-6 | Benzamide, N-[(1S)-1-(aminocarbonyl)butyl]-2-mercapto-
CAS No: 824938-53-6 Catalog No: AG00509J MDL No:
Product Description
Catalog Number:
AG00509J
Chemical Name:
Benzamide, N-[(1S)-1-(aminocarbonyl)butyl]-2-mercapto-
CAS Number:
824938-53-6
Molecular Formula:
C12H16N2O2S
Molecular Weight:
252.3326
IUPAC Name:
N-[(2S)-1-amino-1-oxopentan-2-yl]-2-sulfanylbenzamide
InChI:
InChI=1S/C12H16N2O2S/c1-2-5-9(11(13)15)14-12(16)8-6-3-4-7-10(8)17/h3-4,6-7,9,17H,2,5H2,1H3,(H2,13,15)(H,14,16)/t9-/m0/s1
InChI Key:
PEQFPKUTSHVCDC-VIFPVBQESA-N
SMILES:
CCC[C@@H](C(=O)N)NC(=O)c1ccccc1S
NSC Number:
727510
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
252.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
252.332g/mol
Monoisotopic Mass:
252.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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