Chemical ID: 7043201

C1CCC(C1)(CC(=O)NCCCCCCNC(=O)CC2(CCCC2)CC(=O)O)CC(=O)O
Chemical ID:
7043201
Name [?]:
2-[1-[6-[2-[1-(carboxymethyl)cyclopentyl]acetyl]aminohexylcarbamoylmethyl]cyclopentyl]acetic acid
SMILES [?]:
C1CCC(C1)(CC(=O)NCCCCCCNC(=O)CC2(CCCC2)CC(=O)O)CC(=O)O
InChi [?]:
InChI=1/C24H40N2O6/c27-19(15-23(17-21(29)30)9-3-4-10-23)25-13-7-1-2-8-14-26-20(28)16-24(18-22(31)32)11-5-6-12-24/h1-18H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
InChi Info:
AuxInfo=1/1/N:12,13,1,2,22,23,11,14,5,3,21,24,10,15,6,19,29,25,7,17,30,26,4,20,9,16,8,18,31,32,27,28/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)(3,4)/rA:32nCCCCCCCONCCCCCCNCOCCCCCCCCOOCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;d17;s17;s19;s20;s21;s22;s20s23;s20;s25;d26;s26;s4;s29;d30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H40N2O6
All Atoms:72
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.2643
Area:742.964
Solvation:-4.30984
Coulombic:-93.7543
Bond Count [?]
All:33
Single:29
Double:4
Rotors:17
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:452.584
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:3.92
LogP (Chemaxon):2.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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