[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 3-[[(E)-3-phenylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-3-phenylacryloyl]amino]propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-17(24(30)27-25-14-19-11-20(15-25)13-21(12-19)16-25)31-23(29)9-10-26-22(28)8-7-18-5-3-2-4-6-18/h2-8,17,19-21H,9-16H2,1H3,(H,26,28)(H,27,30)/b8-7+/t17-,19?,20?,21?,25?/m1/s1