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869492-47-7 | L-Glutamic acid, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS No: 869492-47-7 Catalog No: AG004O7E MDL No:
Product Description
Catalog Number:
AG004O7E
Chemical Name:
L-Glutamic acid, N-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-
CAS Number:
869492-47-7
Molecular Formula:
C15H21NO6S
Molecular Weight:
343.3953
IUPAC Name:
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]pentanedioic acid
InChI:
InChI=1S/C15H21NO6S/c1-15(2,3)10-4-6-11(7-5-10)23(21,22)16-12(14(19)20)8-9-13(17)18/h4-7,12,16H,8-9H2,1-3H3,(H,17,18)(H,19,20)/t12-/m0/s1
InChI Key:
XYHPYJCOGJVMKO-LBPRGKRZSA-N
SMILES:
OC(=O)[C@@H](NS(=O)(=O)c1ccc(cc1)C(C)(C)C)CCC(=O)O
Properties
Complexity:
523
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
343.109g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
343.394g/mol
Monoisotopic Mass:
343.109g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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