4-(2-azanylpropanoylamino)-N-(3,3-dimethylbutyl)-N-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylpropanoylamino)-N-(3,3-dimethylbutyl)-N-[2-oxidanylidene-2-(quinolin-3-ylamino)ethyl]pyrrolidine-2-carboxamide Openeye Name: 4-(2-aminopropanoylamino)-N-(3,3-dimethylbutyl)-N-[2-oxo-2-(3-quinolylamino)ethyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxopropyl)amino]-N-(3,3-dimethylbutyl)-N-[2-oxo-2-(3-quinolinylamino)ethyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(2-aminopropanoylamino)-N-(3,3-dimethylbutyl)-N-[2-oxo-2-(quinolin-3-ylamino)ethyl]pyrrolidine-2-carboxamide Traditional Name: 4-(alanylamino)-N-(3,3-dimethylbutyl)-N-[2-keto-2-(3-quinolylamino)ethyl]pyrrolidine-2-carboxamide Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC(NC1)C(=O)N(CCC(C)(C)C)CC(=O)NC2=CC3=CC=CC=C3N=C2)N

Isomeric SMILES

CC(C(=O)NC1CC(NC1)C(=O)N(CCC(C)(C)C)CC(=O)NC2=CC3=CC=CC=C3N=C2)N

InChI

InChI=1S/C25H36N6O3/c1-16(26)23(33)30-19-12-21(28-14-19)24(34)31(10-9-25(2,3)4)15-22(32)29-18-11-17-7-5-6-8-20(17)27-13-18/h5-8,11,13,16,19,21,28H,9-10,12,14-15,26H2,1-4H3,(H,29,32)(H,30,33)