Chemical ID: 7436430

CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NCCCCCC(=O)O)C
Chemical ID:
7436430
Name [?]:
6-[[2-[4-(1,3-dioxoisoindolin-2-yl)butanoyl]-5,5-dimethyl-3-oxo-1-cyclohexenyl]amino]hexanoic acid
SMILES [?]:
CC1(CC(=C(C(=O)C1)C(=O)CCCN2C(=O)c3ccccc3C2=O)NCCCCCC(=O)O)C
InChi [?]:
InChI=1/C26H32N2O6/c1-26(2)15-19(27-13-7-3-4-12-22(31)32)23(21(30)16-26)20(29)11-8-14-28-24(33)17-9-5-6-10-18(17)25(28)34/h5-6,9-10,27H,3-4,7-8,11-16H2,1-2H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,34,28,29,19,20,27,12,18,21,11,30,26,13,3,8,17,22,4,9,6,31,5,15,23,2,25,14,10,7,32,33,16,24/E:(1,2)(5,6)(9,10)(17,18)(24,25)(31,32)(33,34)/rA:34nCCCCCCOCCOCCCNCOCCCCCCCONCCCCCCOOC/rB:s1;s2;s3;d4;s5;d6;s2s6;s5;d9;s9;s11;s12;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s14s22;d23;s4;s25;s26;s27;s28;s29;s30;d31;s31;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H32N2O6
All Atoms:66
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.2977
Area:748.649
Solvation:-5.41847
Coulombic:-79.0112
Bond Count [?]
All:36
Single:27
Double:9
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:468.542
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.22
LogP (Chemaxon):2.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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