[2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenylethanoylamino)butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H33NO4/c1-16(2)23(26-22(28)11-17-6-4-3-5-7-17)24(29)30-15-21(27)25-12-18-8-19(13-25)10-20(9-18)14-25/h3-7,16,18-20,23H,8-15H2,1-2H3,(H,26,28)/t18?,19?,20?,23-,25?/m0/s1