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Chemical ID: 7344215
Chemical ID:
7344215
Name [?]:
4-[[1-(2-amino-3-methyl-butanoyl)-4-piperidyl]carbonylaminomethyl]cyclohexane-1-carboxylic acid
SMILES [?]:
CC(C)C(C(=O)N1CCC(CC1)C(=O)NCC2CCC(CC2)C(=O)O)N
InChi [?]:
InChI=1/C19H33N3O4/c1-12(2)16(20)18(24)22-9-7-14(8-10-22)17(23)21-11-13-3-5-15(6-4-13)19(25)26/h12-16H,3-11,20H2,1-2H3,(H,21,23)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,3,18,22,19,21,9,11,8,12,16,2,17,10,20,4,13,5,23,26,15,7,14,6,24,25/E:(1,2)(3,4)(5,6)(7,8)(9,10)(25,26)/rA:26cCCCCCONCCCCCCONCCCCCCCCOON/rB:s1;s2;s2;s4;d5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;s17;s18;s19;s20;s17s21;s20;d23;s23;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H33N3O4 |
All Atoms: | 59 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7216 |
Area: | 596.617 |
Solvation: | -4.19385 |
Coulombic: | -75.6403 |
Bond Count [?]
All: | 27 |
Single: | 24 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 367.483 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 0.5 |
LogP (Chemaxon): | -3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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