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

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] (2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-methyl-butyric acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33NO5/c1-16(2)22(26-24(29)31-14-17-6-4-3-5-7-17)23(28)30-15-21(27)25-11-18-8-19(12-25)10-20(9-18)13-25/h3-7,16,18-20,22H,8-15H2,1-2H3,(H,26,29)/t18?,19?,20?,22-,25?/m0/s1