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148076-52-2 | L-Cysteine, 5-thioxo-L-prolyl-
CAS No: 148076-52-2 Catalog No: AG001FEL MDL No:
Product Description
Catalog Number:
AG001FEL
Chemical Name:
L-Cysteine, 5-thioxo-L-prolyl-
CAS Number:
148076-52-2
Molecular Formula:
C8H12N2O3S2
Molecular Weight:
248.3225
IUPAC Name:
(2R)-3-sulfanyl-2-[[(2S)-5-sulfanylidenepyrrolidine-2-carbonyl]amino]propanoic acid
InChI:
InChI=1S/C8H12N2O3S2/c11-7(4-1-2-6(15)9-4)10-5(3-14)8(12)13/h4-5,14H,1-3H2,(H,9,15)(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChI Key:
GRRYKTAZNOFTOA-WHFBIAKZSA-N
SMILES:
OC(=O)[C@@H](NC(=O)[C@@H]1CCC(=S)N1)CS
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
248.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.315g/mol
Monoisotopic Mass:
248.029g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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