[(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(furan-2-ylcarbonylamino)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (2S)-2-(furan-2-carbonylamino)propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]propanoic acid [(2R)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate Traditional Name: (2S)-2-(2-furoylamino)propionic acid [(1R)-2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

C[C@@H](C(=O)O[C@H](C)C(=O)N1CCN(CC1)C2=CC=CC=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H25N3O5/c1-15(22-19(25)18-9-6-14-28-18)21(27)29-16(2)20(26)24-12-10-23(11-13-24)17-7-4-3-5-8-17/h3-9,14-16H,10-13H2,1-2H3,(H,22,25)/t15-,16+/m0/s1