N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-oxidanyl-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-oxidanyl-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-(2-hydroxy-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-(2-hydroxy-1-oxo-3,3-diphenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-(2-hydroxy-3,3-diphenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-(2-hydroxy-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide Formula: C27H29N5O3 MolecularWeight: 471.55086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)NCC4=CN=C(C=C4)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)NCC4=CN=C(C=C4)C(=N)N

InChI

InChI=1S/C27H29N5O3/c28-25(29)21-14-13-18(16-30-21)17-31-26(34)22-12-7-15-32(22)27(35)24(33)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,13-14,16,22-24,33H,7,12,15,17H2,(H3,28,29)(H,31,34)