4-(1-adamantylamino)-3-azanyl-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 4-(1-adamantylamino)-3-azanyl-4-oxidanylidene-butanoate; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 4-(1-adamantylamino)-3-amino-4-oxo-butanoate; 2,2,2-trifluoroacetate CAS Name: 4-(1-adamantylamino)-3-amino-4-oxobutanoate; 2,2,2-trifluoroacetate IUPAC Name: 4-(1-adamantylamino)-3-amino-4-oxobutanoate; 2,2,2-trifluoroacetate Traditional Name: 4-(1-adamantylamino)-3-amino-4-keto-butyrate; 2,2,2-trifluoroacetate Formula: C16H21F3N2O5-2 MolecularWeight: 378.34355

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C(CC(=O)[O-])N.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C14H22N2O3.C2HF3O2/c15-11(4-12(17)18)13(19)16-14-5-8-1-9(6-14)3-10(2-8)7-14;3-2(4,5)1(6)7/h8-11H,1-7,15H2,(H,16,19)(H,17,18);(H,6,7)/p-2