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198342-23-3 | L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-, hydrochloride (9CI)
CAS No: 198342-23-3 Catalog No: AG002BGD MDL No:
Product Description
Catalog Number:
AG002BGD
Chemical Name:
L-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-, hydrochloride (9CI)
CAS Number:
198342-23-3
Molecular Formula:
C9H16ClNO3S
Molecular Weight:
253.7462
IUPAC Name:
(2S)-1-[(2S)-2-methyl-3-sulfanylpropanoyl]pyrrolidine-2-carboxylic acid;hydrochloride
InChI:
InChI=1S/C9H15NO3S.ClH/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13;/h6-7,14H,2-5H2,1H3,(H,12,13);1H/t6-,7+;/m1./s1
InChI Key:
FECNGFPXMFYVNI-HHQFNNIRSA-N
SMILES:
SC[C@H](C(=O)N1CCC[C@H]1C(=O)O)C.Cl
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
253.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
253.741g/mol
Monoisotopic Mass:
253.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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