2-[2-(1-adamantylsulfanyl)ethylamino]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-(1-adamantylsulfanyl)ethylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[2-(1-adamantylsulfanyl)ethylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[2-(1-adamantylthio)ethylamino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[2-(1-adamantylsulfanyl)ethylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[2-(1-adamantylthio)ethylamino]-3,3-dimethyl-butyric acid Formula: C18H31NO2S MolecularWeight: 325.50924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NCCSC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)C(C(=O)O)NCCSC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H31NO2S/c1-17(2,3)15(16(20)21)19-4-5-22-18-9-12-6-13(10-18)8-14(7-12)11-18/h12-15,19H,4-11H2,1-3H3,(H,20,21)