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883452-10-6 | Glutamine,N2-p-tolylsulfonyl-, D- (5CI)
CAS No: 883452-10-6 Catalog No: AG0046PW MDL No:
Product Description
Catalog Number:
AG0046PW
Chemical Name:
Glutamine,N2-p-tolylsulfonyl-, D- (5CI)
CAS Number:
883452-10-6
Molecular Formula:
C12H16N2O5S
Molecular Weight:
300.3308
IUPAC Name:
(2R)-5-amino-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
InChI:
InChI=1S/C12H16N2O5S/c1-8-2-4-9(5-3-8)20(18,19)14-10(12(16)17)6-7-11(13)15/h2-5,10,14H,6-7H2,1H3,(H2,13,15)(H,16,17)/t10-/m1/s1
InChI Key:
YDNYEJZZJXFADP-SNVBAGLBSA-N
SMILES:
OC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)C)CCC(=O)N
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
300.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
300.329g/mol
Monoisotopic Mass:
300.078g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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