methyl (2S)-1-[2-[2-(decanoylamino)ethanoylamino]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[2-[2-(decanoylamino)ethanoylamino]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[1-oxo-2-[[1-oxo-2-(1-oxodecylamino)ethyl]amino]ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[2-[[2-(decanoylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[[2-(caprylamino)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C20H35N3O5 MolecularWeight: 397.509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NCC(=O)NCC(=O)N1CCCC1C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)OC

InChI

InChI=1S/C20H35N3O5/c1-3-4-5-6-7-8-9-12-17(24)21-14-18(25)22-15-19(26)23-13-10-11-16(23)20(27)28-2/h16H,3-15H2,1-2H3,(H,21,24)(H,22,25)/t16-/m0/s1