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1263044-88-7 | Propanoic acid, 3-[[13-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1263044-88-7 Catalog No: AG000SI7 MDL No:
Product Description
Catalog Number:
AG000SI7
Chemical Name:
Propanoic acid, 3-[[13-[3-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)phenyl]-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1263044-88-7
Molecular Formula:
C26H31N3O11
Molecular Weight:
561.5378
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[[3-(2,5-dioxopyrrol-1-yl)benzoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C26H31N3O11/c30-21-4-5-22(31)28(21)20-3-1-2-19(18-20)26(35)27-9-11-37-13-15-39-17-16-38-14-12-36-10-8-25(34)40-29-23(32)6-7-24(29)33/h1-5,18H,6-17H2,(H,27,35)
InChI Key:
QDLKNPCHCJFKOJ-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCNC(=O)c1cccc(c1)N1C(=O)C=CC1=O
Properties
Complexity:
920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
561.196g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
561.544g/mol
Monoisotopic Mass:
561.196g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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