[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-tert-butylphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-tert-butylphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-tert-butylbenzoyl)amino]-3-methyl-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C28H39NO4/c1-17(2)24(29-25(31)21-6-8-22(9-7-21)27(3,4)5)26(32)33-16-23(30)28-13-18-10-19(14-28)12-20(11-18)15-28/h6-9,17-20,24H,10-16H2,1-5H3,(H,29,31)/t18?,19?,20?,24-,28?/m0/s1