(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(4-methylpent-3-enyl)pyrrolidine-3-carboxylic acid

Systemtic Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxidanylidene-ethyl]-2-(4-methylpent-3-enyl)pyrrolidine-3-carboxylic acid Openeye Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxo-ethyl]-2-(4-methylpent-3-enyl)pyrrolidine-3-carboxylic acid CAS Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methylpent-3-enyl)-3-pyrrolidinecarboxylic acid IUPAC Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(4-methylpent-3-enyl)pyrrolidine-3-carboxylic acid Traditional Name: (2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-keto-ethyl]-2-(4-methylpent-3-enyl)pyrrolidine-3-carboxylic acid Formula: C28H42N2O5 MolecularWeight: 486.64348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=O)CN1CC(C(C1CCC=C(C)C)C(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCN(CCCC)C(=O)CN1C[C@@H]([C@H]([C@@H]1CCC=C(C)C)C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C28H42N2O5/c1-5-7-14-29(15-8-6-2)26(31)18-30-17-22(21-12-13-24-25(16-21)35-19-34-24)27(28(32)33)23(30)11-9-10-20(3)4/h10,12-13,16,22-23,27H,5-9,11,14-15,17-19H2,1-4H3,(H,32,33)/t22-,23+,27-/m1/s1