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Chemical ID: 6507279
Chemical ID:
6507279
Name [?]:
6-(cyclohexylcarbamoylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES [?]:
CC1(C(N2C(S1)C(C2=O)NC(=O)NC3CCCCC3)C(=O)O)C
InChi [?]:
InChI=1/C15H23N3O4S/c1-15(2)10(13(20)21)18-11(19)9(12(18)23-15)17-14(22)16-8-6-4-3-5-7-8/h8-10,12H,3-7H2,1-2H3,(H,20,21)(H2,16,17,22)
InChi Info:
AuxInfo=1/1/N:1,23,17,16,18,15,19,14,7,3,8,5,20,11,2,13,10,4,9,21,22,12,6/E:(1,2)(4,5)(6,7)(20,21)/rA:23cCCCNCSCCONCONCCCCCCCOOC/rB:s1;s2;s3;s4;s2s5;s5;s4s7;d8;s7;s10;d11;s11;s13;s14;s15;s16;s17;s14s18;s3;d20;s20;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3O4S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.48818 |
Area: | 516.08 |
Solvation: | -4.41381 |
Coulombic: | -78.2792 |
Bond Count [?]
All: | 25 |
Single: | 22 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 341.427 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.43 |
LogP (Chemaxon): | 0.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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