(2S,3R)-4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate

Systemtic Name: (2S,3R)-4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxidanylidene-butanoate Openeye Name: (2S,3R)-4-[2-(1-adamantyl)ethylamino]-2-methyl-4-oxo-3-(p-tolylmethyl)butanoate CAS Name: (2S,3R)-4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoate IUPAC Name: (2S,3R)-4-[2-(1-adamantyl)ethylamino]-2-methyl-3-[(4-methylphenyl)methyl]-4-oxobutanoate Traditional Name: (2S,3R)-4-[2-(1-adamantyl)ethylamino]-4-keto-2-methyl-3-(4-methylbenzyl)butyrate Formula: C25H34NO3- MolecularWeight: 396.54236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C(C)C(=O)[O-])C(=O)NCCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H]([C@H](C)C(=O)[O-])C(=O)NCCC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H35NO3/c1-16-3-5-18(6-4-16)12-22(17(2)24(28)29)23(27)26-8-7-25-13-19-9-20(14-25)11-21(10-19)15-25/h3-6,17,19-22H,7-15H2,1-2H3,(H,26,27)(H,28,29)/p-1/t17-,19?,20?,21?,22+,25?/m0/s1