(3S)-1-[[3-(N'-cyanocarbamimidoyl)phenyl]methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-[[3-(N'-cyanocarbamimidoyl)phenyl]methyl]-2-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: (3S)-1-[[3-(N'-cyanocarbamimidoyl)phenyl]methyl]-2-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-[[3-[amino(cyanoimino)methyl]phenyl]methyl]-2-oxo-3-pyrrolidinecarboxamide IUPAC Name: (3S)-1-[[3-(N'-cyanocarbamimidoyl)phenyl]methyl]-2-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-1-[3-(N'-cyanoamidino)benzyl]-2-keto-pyrrolidine-3-carboxamide Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1C(=O)N)CC2=CC=CC(=C2)C(=NC#N)N

Isomeric SMILES

C1CN(C(=O)[C@@H]1C(=O)N)CC2=CC=CC(=C2)C(=NC#N)N

InChI

InChI=1S/C14H15N5O2/c15-8-18-12(16)10-3-1-2-9(6-10)7-19-5-4-11(13(17)20)14(19)21/h1-3,6,11H,4-5,7H2,(H2,16,18)(H2,17,20)/t11-/m0/s1