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115084-54-3

115084-54-3 | L-Proline, 1-[N-[(2-carboxyphenyl)sulfonyl]alanyl]- (9CI)

CAS No: 115084-54-3 Catalog No: AG000FVI MDL No:

Product Description

Catalog Number:
AG000FVI
Chemical Name:
L-Proline, 1-[N-[(2-carboxyphenyl)sulfonyl]alanyl]- (9CI)
CAS Number:
115084-54-3
Molecular Formula:
C15H18N2O7S
Molecular Weight:
370.3776
IUPAC Name:
1-[2-[(2-carboxyphenyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C15H18N2O7S/c1-9(13(18)17-8-4-6-11(17)15(21)22)16-25(23,24)12-7-3-2-5-10(12)14(19)20/h2-3,5,7,9,11,16H,4,6,8H2,1H3,(H,19,20)(H,21,22)
InChI Key:
DWNILDQNFIPDFV-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NS(=O)(=O)c1ccccc1C(=O)O

Properties

Complexity:
643  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.083g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
370.376g/mol
Monoisotopic Mass:
370.083g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  

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