(2S)-1-[(2R)-2-[[(2R)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[(2R)-2-[[(2R)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[(2R)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]ammonio]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2R)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]ammonio]-1-oxopropyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[(2R)-2-[[(2R)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2R)-2-[[(1R)-1-carbethoxy-3-phenyl-propyl]ammonio]propanoyl]pyrrolidine-2-carboxylate Formula: C20H28N2O5 MolecularWeight: 376.44672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)[NH2+]C(C)C(=O)N2CCCC2C(=O)[O-]

Isomeric SMILES

CCOC(=O)[C@@H](CCC1=CC=CC=C1)[NH2+][C@H](C)C(=O)N2CCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C20H28N2O5/c1-3-27-20(26)16(12-11-15-8-5-4-6-9-15)21-14(2)18(23)22-13-7-10-17(22)19(24)25/h4-6,8-9,14,16-17,21H,3,7,10-13H2,1-2H3,(H,24,25)/t14-,16-,17+/m1/s1