[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-[(5S,7S)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(5S,7S)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-3-bromo-1-adamantyl]acetic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H30BrNO3 MolecularWeight: 400.3504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)CC12CC3CC(C1)CC(C3)(C2)Br

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)CC12C[C@@H]3C[C@@H](C1)CC(C3)(C2)Br

InChI

InChI=1S/C19H30BrNO3/c1-4-17(2,3)21-15(22)11-24-16(23)10-18-6-13-5-14(7-18)9-19(20,8-13)12-18/h13-14H,4-12H2,1-3H3,(H,21,22)/t13-,14-,18?,19?/m0/s1