(2S)-2-(cyclododecylamino)-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one

Systemtic Name: (2S)-2-(cyclododecylamino)-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one Openeye Name: (2S)-2-(cyclododecylamino)-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-2H-pyrrol-5-one CAS Name: (2S)-2-(cyclododecylamino)-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one IUPAC Name: (2S)-2-(cyclododecylamino)-3,4-dimethyl-1-[(2S)-4-phenylbutan-2-yl]-2H-pyrrol-5-one Traditional Name: (5S)-5-(cyclododecylamino)-3,4-dimethyl-1-[(1S)-1-methyl-3-phenyl-propyl]-3-pyrrolin-2-one Formula: C28H44N2O MolecularWeight: 424.66176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C1NC2CCCCCCCCCCC2)C(C)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=O)N([C@@H]1NC2CCCCCCCCCCC2)[C@@H](C)CCC3=CC=CC=C3)C

InChI

InChI=1S/C28H44N2O/c1-22(20-21-25-16-12-11-13-17-25)30-27(23(2)24(3)28(30)31)29-26-18-14-9-7-5-4-6-8-10-15-19-26/h11-13,16-17,22,26-27,29H,4-10,14-15,18-21H2,1-3H3/t22-,27-/m0/s1