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849440-92-2 | Valine, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS No: 849440-92-2 Catalog No: AG004RG4 MDL No:
Product Description
Catalog Number:
AG004RG4
Chemical Name:
Valine, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS Number:
849440-92-2
Molecular Formula:
C14H20N2O5S
Molecular Weight:
328.3840
IUPAC Name:
(2S)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]butanoic acid
InChI:
InChI=1S/C14H20N2O5S/c1-9(2)13(14(18)19)16-12(17)8-15-22(20,21)11-6-4-10(3)5-7-11/h4-7,9,13,15H,8H2,1-3H3,(H,16,17)(H,18,19)/t13-/m0/s1
InChI Key:
MPWIQFLDOBACCX-ZDUSSCGKSA-N
SMILES:
O=C(N[C@H](C(=O)O)C(C)C)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
328.109g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
328.383g/mol
Monoisotopic Mass:
328.109g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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