[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(2-phenoxyethanoylamino)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[(1-oxo-2-phenoxyethyl)amino]butanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C25H34N2O5/c1-16(2)23(26-21(28)14-31-20-6-4-3-5-7-20)24(30)32-15-22(29)27-25-11-17-8-18(12-25)10-19(9-17)13-25/h3-7,16-19,23H,8-15H2,1-2H3,(H,26,28)(H,27,29)/t17?,18?,19?,23-,25?/m0/s1