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

Systemtic Name: 1-[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxidanylidene-propan-2-yl]-2-(2-azanylpropanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[1-(1-adamantylsulfanylmethyl)-2-ethoxy-2-oxo-ethyl]-2-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid CAS Name: 1-[3-(1-adamantylthio)-1-ethoxy-1-oxopropan-2-yl]-2-(2-amino-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[3-(1-adamantylsulfanyl)-1-ethoxy-1-oxopropan-2-yl]-2-(2-aminopropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[1-[(1-adamantylthio)methyl]-2-ethoxy-2-keto-ethyl]-2-alanyl-proline Formula: C23H36N2O5S MolecularWeight: 452.60734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)N4CCCC4(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSC12CC3CC(C1)CC(C3)C2)N4CCCC4(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C23H36N2O5S/c1-3-30-20(27)18(25-6-4-5-23(25,21(28)29)19(26)14(2)24)13-31-22-10-15-7-16(11-22)9-17(8-15)12-22/h14-18H,3-13,24H2,1-2H3,(H,28,29)