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115433-17-5 | L-Glutamic acid, N-[(phenylamino)thioxomethyl]-
CAS No: 115433-17-5 Catalog No: AG000FZX MDL No:
Product Description
Catalog Number:
AG000FZX
Chemical Name:
L-Glutamic acid, N-[(phenylamino)thioxomethyl]-
CAS Number:
115433-17-5
Molecular Formula:
C12H14N2O4S
Molecular Weight:
282.3156
IUPAC Name:
(2S)-2-(phenylcarbamothioylamino)pentanedioic acid
InChI:
InChI=1S/C12H14N2O4S/c15-10(16)7-6-9(11(17)18)14-12(19)13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,15,16)(H,17,18)(H2,13,14,19)/t9-/m0/s1
InChI Key:
BKDFTHVYEAKALU-VIFPVBQESA-N
SMILES:
S=C(Nc1ccccc1)N[C@H](C(=O)O)CCC(=O)O
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
282.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
282.314g/mol
Monoisotopic Mass:
282.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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