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

Systemtic Name: 1-(2-azanyl-3-phenyl-propanoyl)-N-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-(2-amino-3-phenyl-propanoyl)-N-[(1-carbamimidoyl-4-piperidyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-(2-amino-1-oxo-3-phenylpropyl)-N-[(1-carbamimidoyl-4-piperidinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(2-amino-3-phenylpropanoyl)-N-[(1-carbamimidoylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-[(1-amidino-4-piperidyl)methyl]-1-phenylalanyl-pyrrolidine-2-carboxamide Formula: C21H32N6O2 MolecularWeight: 400.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3CCN(CC3)C(=N)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NCC3CCN(CC3)C(=N)N

InChI

InChI=1S/C21H32N6O2/c22-17(13-15-5-2-1-3-6-15)20(29)27-10-4-7-18(27)19(28)25-14-16-8-11-26(12-9-16)21(23)24/h1-3,5-6,16-18H,4,7-14,22H2,(H3,23,24)(H,25,28)