1-(2-azanyl-3-phenyl-propanoyl)-N-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-[[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrrolidine-2-carboxamide CAS Name: N-[[4-[(Z)-amino(hydroxyimino)methyl]phenyl]methyl]-1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]pyrrolidine-2-carboxamide Traditional Name: N-[4-[(Z)-aminocarbohydroximoyl]benzyl]-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)C(=NO)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3=CC=C(C=C3)/C(=N/O)/N

InChI

InChI=1S/C22H27N5O3/c23-18(13-15-5-2-1-3-6-15)22(29)27-12-4-7-19(27)21(28)25-14-16-8-10-17(11-9-16)20(24)26-30/h1-3,5-6,8-11,18-19,30H,4,7,12-14,23H2,(H2,24,26)(H,25,28)