1-[[3-(dimethylcarbamoylamino)-2-oxidanylidene-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3-(dimethylcarbamoylamino)-2-oxidanylidene-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[3-(dimethylcarbamoylamino)-2-oxo-4-phenyl-butyl]-methyl-carbamoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[[3-[[dimethylamino(oxo)methyl]amino]-2-oxo-4-phenylbutyl]-methylamino]-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-(dimethylcarbamoylamino)-2-oxo-4-phenylbutyl]-methylcarbamoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[3-(dimethylcarbamoylamino)-2-keto-4-phenyl-butyl]-methyl-carbamoyl]proline Formula: C20H28N4O5 MolecularWeight: 404.46012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CN(C)C(=O)NC(CC1=CC=CC=C1)C(=O)CN(C)C(=O)N2CCCC2C(=O)O

InChI

InChI=1S/C20H28N4O5/c1-22(2)19(28)21-15(12-14-8-5-4-6-9-14)17(25)13-23(3)20(29)24-11-7-10-16(24)18(26)27/h4-6,8-9,15-16H,7,10-13H2,1-3H3,(H,21,28)(H,26,27)