[(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [(1R)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl] 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: [(1R)-2-methoxy-2-oxo-1-phenyl-ethyl] 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid [(1R)-2-methoxy-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-methoxy-2-oxo-1-phenylethyl] 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid [(1R)-2-keto-2-methoxy-1-phenyl-ethyl] ester Formula: C23H30N2O5 MolecularWeight: 414.4947

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)[C@@H](C1=CC=CC=C1)OC(=O)CCNC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O5/c1-29-21(27)20(18-5-3-2-4-6-18)30-19(26)7-8-24-22(28)25-23-12-15-9-16(13-23)11-17(10-15)14-23/h2-6,15-17,20H,7-14H2,1H3,(H2,24,25,28)/t15?,16?,17?,20-,23?/m1/s1