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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)N

InChI

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