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125559-00-4 | Hexanoic acid, 6-[[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexyl]carbonyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 125559-00-4 Catalog No: AG000NVG MDL No:MFCD01863459
Product Description
Catalog Number:
AG000NVG
Chemical Name:
Hexanoic acid, 6-[[[4-[(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)methyl]cyclohexyl]carbonyl]amino]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
125559-00-4
Molecular Formula:
C22H29N3O7
Molecular Weight:
447.4816
MDL Number:
MFCD01863459
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoate
InChI:
InChI=1S/C22H29N3O7/c26-17-9-10-18(27)24(17)14-15-5-7-16(8-6-15)22(31)23-13-3-1-2-4-21(30)32-25-19(28)11-12-20(25)29/h9-10,15-16H,1-8,11-14H2,(H,23,31)
InChI Key:
IHVODYOQUSEYJJ-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)C1CCC(CC1)CN1C(=O)C=CC1=O
Properties
Complexity:
780
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.201g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.488g/mol
Monoisotopic Mass:
447.201g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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