Chemical ID: 6593874

C1CCC(CC1)(CC(=O)N2CCN(CC2)C(=O)CC3(CCCCC3)CC(=O)O)CC(=O)O
Chemical ID:
6593874
Name [?]:
2-[1-[[4-[2-[1-(carboxymethyl)cyclohexyl]acetyl]piperazin-1-yl]carbonylmethyl]cyclohexyl]acetic acid
SMILES [?]:
C1CCC(CC1)(CC(=O)N2CCN(CC2)C(=O)CC3(CCCCC3)CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C24H38N2O6/c27-19(15-23(17-21(29)30)7-3-1-4-8-23)25-11-13-26(14-12-25)20(28)16-24(18-22(31)32)9-5-2-6-10-24/h1-18H2,(H,29,30)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,22,2,6,21,23,3,5,20,24,11,15,12,14,7,18,29,25,8,16,30,26,4,19,10,13,9,17,31,32,27,28/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)(27,28)(29,30,31,32)/gE:(1,2)/rA:32nCCCCCCCCONCCNCCCOCCCCCCCCCOOCCOO/rB:s1;s2;s3;s4;s1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s16;s18;s19;s20;s21;s22;s19s23;s19;s25;d26;s26;s4;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H38N2O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.2891
Area:660.049
Solvation:-4.21213
Coulombic:-84.0647
Bond Count [?]
All:34
Single:30
Double:4
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:450.568
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.65
LogP (Chemaxon):1.84

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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