2-(2-azanylpropanoyl)-1-[3-heptylsulfanyl-1-(2-methylpropoxy)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-heptylsulfanyl-1-(2-methylpropoxy)-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(heptylsulfanylmethyl)-2-isobutoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-(heptylthio)-1-(2-methylpropoxy)-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-heptylsulfanyl-1-(2-methylpropoxy)-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(heptylthio)methyl]-2-isobutoxy-2-keto-ethyl]proline Formula: C22H40N2O5S MolecularWeight: 444.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCC(C(=O)OCC(C)C)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCCCSCC(C(=O)OCC(C)C)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C22H40N2O5S/c1-5-6-7-8-9-13-30-15-18(20(26)29-14-16(2)3)24-12-10-11-22(24,21(27)28)19(25)17(4)23/h16-18H,5-15,23H2,1-4H3,(H,27,28)