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12-(1-adamantylcarbamoylamino)-2-fluoranyl-dodecanoic acid

12-(1-adamantylcarbamoylamino)-2-fluoranyl-dodecanoic acid

Systemtic Name:12-(1-adamantylcarbamoylamino)-2-fluoranyl-dodecanoic acid
Openeye Name:12-(1-adamantylcarbamoylamino)-2-fluoro-dodecanoic acid
CAS Name:12-[[(1-adamantylamino)-oxomethyl]amino]-2-fluorododecanoic acid
IUPAC Name:12-(1-adamantylcarbamoylamino)-2-fluorododecanoic acid
Traditional Name:12-(1-adamantylcarbamoylamino)-2-fluoro-lauric acid
Formula: C23H39FN2O3
MolecularWeight: 410.565763
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCC(C(=O)O)F


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCCCCCCCCCC(C(=O)O)F


InChI

InChI=1S/C23H39FN2O3/c24-20(21(27)28)9-7-5-3-1-2-4-6-8-10-25-22(29)26-23-14-17-11-18(15-23)13-19(12-17)16-23/h17-20H,1-16H2,(H,27,28)(H2,25,26,29)


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