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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(2-azanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-3-phenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[4-(aminomethyl)benzyl]-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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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)CN

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c23-14-17-8-10-18(11-9-17)15-25-21(27)20-7-4-12-26(20)22(28)19(24)13-16-5-2-1-3-6-16/h1-3,5-6,8-11,19-20H,4,7,12-15,23-24H2,(H,25,27)