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1263044-56-9 | Propanoic acid, 3-[2-[2-[[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]amino]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1263044-56-9 Catalog No: AG000SI8 MDL No:
Product Description
Catalog Number:
AG000SI8
Chemical Name:
Propanoic acid, 3-[2-[2-[[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]amino]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1263044-56-9
Molecular Formula:
C21H29N3O9
Molecular Weight:
467.4697
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C21H29N3O9/c25-16(4-2-1-3-11-23-17(26)5-6-18(23)27)22-10-13-32-15-14-31-12-9-21(30)33-24-19(28)7-8-20(24)29/h5-6H,1-4,7-15H2,(H,22,25)
InChI Key:
RKGUGSULMVQEIX-UHFFFAOYSA-N
SMILES:
O=C(CCCCCN1C(=O)C=CC1=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.19g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.475g/mol
Monoisotopic Mass:
467.19g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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