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137795-35-8 | 8-Azaspiro[4.5]decane-8-pentanoic acid, γ-[(3,5-dichlorobenzoyl)amino]-δ-oxo-, (γR)-
CAS No: 137795-35-8 Catalog No: AG0013UJ MDL No:
Product Description
Catalog Number:
AG0013UJ
Chemical Name:
8-Azaspiro[4.5]decane-8-pentanoic acid, γ-[(3,5-dichlorobenzoyl)amino]-δ-oxo-, (γR)-
CAS Number:
137795-35-8
Molecular Formula:
C21H26Cl2N2O4
Molecular Weight:
441.3481
IUPAC Name:
(4R)-5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoic acid
InChI:
InChI=1S/C21H26Cl2N2O4/c22-15-11-14(12-16(23)13-15)19(28)24-17(3-4-18(26)27)20(29)25-9-7-21(8-10-25)5-1-2-6-21/h11-13,17H,1-10H2,(H,24,28)(H,26,27)/t17-/m1/s1
InChI Key:
FJCZHMXAGBYXHJ-QGZVFWFLSA-N
SMILES:
O=C([C@H](NC(=O)c1cc(Cl)cc(c1)Cl)CCC(=O)O)N1CCC2(CC1)CCCC2
UNII:
EZS5V8UN4Y
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
440.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.349g/mol
Monoisotopic Mass:
440.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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