(2S,4S,5R)-1-heptanoyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid

Systemtic Name: (2S,4S,5R)-1-heptanoyl-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylic acid Openeye Name: (2S,4S,5R)-1-heptanoyl-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid CAS Name: (2S,4S,5R)-2-(2-methylpropyl)-1-(1-oxoheptyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid IUPAC Name: (2S,4S,5R)-1-heptanoyl-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid Traditional Name: (2S,4S,5R)-1-enanthyl-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1C(C(CC1(CC(C)C)C(=O)O)C(=O)O)C2=CC=CS2

Isomeric SMILES

CCCCCCC(=O)N1[C@H]([C@H](C[C@@]1(CC(C)C)C(=O)O)C(=O)O)C2=CC=CS2

InChI

InChI=1S/C21H31NO5S/c1-4-5-6-7-10-17(23)22-18(16-9-8-11-28-16)15(19(24)25)13-21(22,20(26)27)12-14(2)3/h8-9,11,14-15,18H,4-7,10,12-13H2,1-3H3,(H,24,25)(H,26,27)/t15-,18+,21-/m0/s1