phenacyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: phenacyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: phenacyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid phenacyl ester IUPAC Name: phenacyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid phenacyl ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-15(2)21(22(27)29-14-20(26)19-6-4-3-5-7-19)25-23(28)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18,21H,8-14H2,1-2H3,(H,25,28)/t16?,17?,18?,21-,24?/m1/s1