Home Carbonyls L-Proline, N-[(1,1-dimethylethoxy)carbonyl]glycyl-4-(benzoylamino)-, (4R)-

L-Proline, N-[(1,1-dimethylethoxy)carbonyl]glycyl-4-(benzoylamino)-, (4R)-

CAS No.:
943134-34-7
Catalog Number:
AG00ILXK
Molecular Formula:
C19H25N3O6
Molecular Weight:
391.4183
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Product Description
Catalog Number:
AG00ILXK
Chemical Name:
L-Proline, N-[(1,1-dimethylethoxy)carbonyl]glycyl-4-(benzoylamino)-, (4R)-
CAS Number:
943134-34-7
Molecular Formula:
C19H25N3O6
Molecular Weight:
391.4183
MDL Number:
MFCD25372069
IUPAC Name:
(2S,4R)-4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C19H25N3O6/c1-19(2,3)28-18(27)20-10-15(23)22-11-13(9-14(22)17(25)26)21-16(24)12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,20,27)(H,21,24)(H,25,26)/t13-,14+/m1/s1
InChI Key:
KPGGKSWVSBIMSD-KGLIPLIRSA-N
SMILES:
O=C(OC(C)(C)C)NCC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)c1ccccc1
Properties
Complexity:
609  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
391.174g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
391.424g/mol
Monoisotopic Mass:
391.174g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Discovery of a class of potent gap-junction modifiers as novel antiarrhythmic agents. Bioorganic & medicinal chemistry letters 20090815
Properties