[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate CAS Name: (2R)-2-[[anilino(oxo)methyl]amino]-3-methylbutanoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate Traditional Name: (2R)-3-methyl-2-(phenylcarbamoylamino)butyric acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C24H33N3O4 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)NC12CC3CC(C1)CC(C3)C2)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O4/c1-15(2)21(26-23(30)25-19-6-4-3-5-7-19)22(29)31-14-20(28)27-24-11-16-8-17(12-24)10-18(9-16)13-24/h3-7,15-18,21H,8-14H2,1-2H3,(H,27,28)(H2,25,26,30)/t16?,17?,18?,21-,24?/m1/s1