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100723-71-5 | L-Proline, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS No: 100723-71-5 Catalog No: AG0002QJ MDL No:MFCD00238391
Product Description
Catalog Number:
AG0002QJ
Chemical Name:
L-Proline, N-[(4-methylphenyl)sulfonyl]glycyl-
CAS Number:
100723-71-5
Molecular Formula:
C14H18N2O5S
Molecular Weight:
326.3681
MDL Number:
MFCD00238391
IUPAC Name:
(2S)-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C14H18N2O5S/c1-10-4-6-11(7-5-10)22(20,21)15-9-13(17)16-8-2-3-12(16)14(18)19/h4-7,12,15H,2-3,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChI Key:
PKLPIXGPPLQAQK-LBPRGKRZSA-N
SMILES:
OC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
326.094g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.367g/mol
Monoisotopic Mass:
326.094g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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