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119238-52-7 | D-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
CAS No: 119238-52-7 Catalog No: AG000IFE MDL No:
Product Description
Catalog Number:
AG000IFE
Chemical Name:
D-Proline, 1-[(2S)-3-mercapto-2-methyl-1-oxopropyl]-
CAS Number:
119238-52-7
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
IUPAC Name:
1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)
InChI Key:
FAKRSMQSSFJEIM-UHFFFAOYSA-N
SMILES:
SC[C@H](C(=O)N1CCC[C@@H]1C(=O)O)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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