2-(2-azanylpropanoyl)-1-(3-heptylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-(3-heptylsulfanyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(heptylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-(heptylthio)-1-hydroxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-(3-heptylsulfanyl-1-hydroxy-1-oxopropan-2-yl)pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(heptylthio)methyl]-2-hydroxy-2-keto-ethyl]proline Formula: C18H32N2O5S MolecularWeight: 388.52208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N2O5S/c1-3-4-5-6-7-11-26-12-14(16(22)23)20-10-8-9-18(20,17(24)25)15(21)13(2)19/h13-14H,3-12,19H2,1-2H3,(H,22,23)(H,24,25)