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141675-53-8

141675-53-8 | L-Cysteine, N-acetyl-S-(5-methoxy-1H-benzimidazol-2-yl)- (9CI)

CAS No: 141675-53-8 Catalog No: AG001GVC MDL No:

Product Description

Catalog Number:
AG001GVC
Chemical Name:
L-Cysteine, N-acetyl-S-(5-methoxy-1H-benzimidazol-2-yl)- (9CI)
CAS Number:
141675-53-8
Molecular Formula:
C13H15N3O4S
Molecular Weight:
309.3409
IUPAC Name:
2-acetamido-3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
InChI:
InChI=1S/C13H15N3O4S/c1-7(17)14-11(12(18)19)6-21-13-15-9-4-3-8(20-2)5-10(9)16-13/h3-5,11H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)
InChI Key:
YEJTZEDREQFANS-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc([nH]2)SC[C@@H](C(=O)O)NC(=O)C

Properties

Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.078g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
309.34g/mol
Monoisotopic Mass:
309.078g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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