4,4-bis(fluoranyl)-1-[2-oxidanyl-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]-N-prop-2-enyl-pyrrolidine-2-carboxamide

Systemtic Name: 4,4-bis(fluoranyl)-1-[2-oxidanyl-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]-N-prop-2-enyl-pyrrolidine-2-carboxamide Openeye Name: N-allyl-4,4-difluoro-1-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]pyrrolidine-2-carboxamide CAS Name: 4,4-difluoro-1-[2-hydroxy-1-oxo-3-(1-oxopent-4-ynylamino)-4-phenylbutyl]-N-prop-2-enyl-2-pyrrolidinecarboxamide IUPAC Name: 4,4-difluoro-1-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenylbutanoyl]-N-prop-2-enylpyrrolidine-2-carboxamide Traditional Name: N-allyl-4,4-difluoro-1-[2-hydroxy-3-(pent-4-ynoylamino)-4-phenyl-butanoyl]pyrrolidine-2-carboxamide Formula: C23H27F2N3O4 MolecularWeight: 447.474986

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1CC(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)CCC#C)O)(F)F

Isomeric SMILES

C=CCNC(=O)C1CC(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)CCC#C)O)(F)F

InChI

InChI=1S/C23H27F2N3O4/c1-3-5-11-19(29)27-17(13-16-9-7-6-8-10-16)20(30)22(32)28-15-23(24,25)14-18(28)21(31)26-12-4-2/h1,4,6-10,17-18,20,30H,2,5,11-15H2,(H,26,31)(H,27,29)