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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(CC1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN(C1CCN(CC1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C21H32N6O2/c1-25(16-9-12-26(13-10-16)21(23)24)20(29)18-8-5-11-27(18)19(28)17(22)14-15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14,22H2,1H3,(H3,23,24)