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Chemical ID: 7043201
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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