2-(2-azanylpropanoyl)-1-[1-ethoxy-1-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[1-ethoxy-1-oxidanylidene-3-(1-oxidanyl-1-oxidanylidene-heptan-2-yl)sulfanyl-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-(1-carboxyhexylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[1-ethoxy-3-[(1-hydroxy-1-oxoheptan-2-yl)thio]-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[1-ethoxy-3-(1-hydroxy-1-oxoheptan-2-yl)sulfanyl-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[(1-carboxyhexylthio)methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C20H34N2O7S MolecularWeight: 446.55816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)O)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCCCCC(C(=O)O)SCC(C(=O)OCC)N1CCCC1(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C20H34N2O7S/c1-4-6-7-9-15(17(24)25)30-12-14(18(26)29-5-2)22-11-8-10-20(22,19(27)28)16(23)13(3)21/h13-15H,4-12,21H2,1-3H3,(H,24,25)(H,27,28)