[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-phenylethanoylamino)ethanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 2-(2-phenylethanoylamino)ethanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 2-[(2-phenylacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-[(2-phenylacetyl)amino]acetate Traditional Name: 2-[(2-phenylacetyl)amino]acetic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CNC(=O)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)CNC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N2O4/c1-15(29-21(27)14-24-20(26)10-16-5-3-2-4-6-16)22(28)25-23-11-17-7-18(12-23)9-19(8-17)13-23/h2-6,15,17-19H,7-14H2,1H3,(H,24,26)(H,25,28)/t15-,17?,18?,19?,23?/m1/s1