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

Systemtic Name: octyl (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: octyl (2S)-1-[(2S)-2-[[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid octyl ester IUPAC Name: octyl (2S)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-[[(1S)-1-carbethoxy-3-phenyl-propyl]amino]propanoyl]pyrrolidine-2-carboxylic acid octyl ester Formula: C28H44N2O5 MolecularWeight: 488.65936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1CCCN1C(=O)C(C)NC(CCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCOC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N[C@@H](CCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C28H44N2O5/c1-4-6-7-8-9-13-21-35-28(33)25-17-14-20-30(25)26(31)22(3)29-24(27(32)34-5-2)19-18-23-15-11-10-12-16-23/h10-12,15-16,22,24-25,29H,4-9,13-14,17-21H2,1-3H3/t22-,24-,25-/m0/s1