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Chemical ID: 5783574
Chemical ID:
5783574
Name [?]:
4-[8-(3-carboxypropylcarbamoyl)octanoylamino]butanoic acid
SMILES [?]:
C(CCCC(=O)NCCCC(=O)O)CCCC(=O)NCCCC(=O)O
InChi [?]:
InChI=1/C17H30N2O6/c20-14(18-12-6-10-16(22)23)8-4-2-1-3-5-9-15(21)19-13-7-11-17(24)25/h1-13H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,3,15,9,21,4,16,10,22,8,20,5,17,11,23,7,19,6,18,12,13,24,25/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23,24,25)/gE:(1,2)(3,4)/rA:25nCCCCCONCCCCOOCCCCONCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s11;s1;s14;s15;s16;d17;s17;s19;s20;s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30N2O6 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.37 |
Area: | 683.919 |
Solvation: | -5.72795 |
Coulombic: | -90.819 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 358.43 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 8 |
XLogP: | 1.09 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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