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

Systemtic Name: N-[(4-aminophenyl)methyl]-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[(4-aminophenyl)methyl]-1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-[(4-aminophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-aminophenyl)methyl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-(4-aminobenzyl)-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C21H26N4O2 MolecularWeight: 366.45674

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c22-17-10-8-16(9-11-17)14-24-20(26)19-7-4-12-25(19)21(27)18(23)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,22-23H2,(H,24,26)