N-(3-azanylpropyl)-N-[2-(4-carbamimidoylphenyl)ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-(3-azanylpropyl)-N-[2-(4-carbamimidoylphenyl)ethanoyl]pyrrolidine-2-carboxamide Openeye Name: N-(3-aminopropyl)-N-[2-(4-carbamimidoylphenyl)acetyl]pyrrolidine-2-carboxamide CAS Name: N-(3-aminopropyl)-N-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(3-aminopropyl)-N-[2-(4-carbamimidoylphenyl)acetyl]pyrrolidine-2-carboxamide Traditional Name: N-[2-(4-amidinophenyl)acetyl]-N-(3-aminopropyl)pyrrolidine-2-carboxamide Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(CCCN)C(=O)CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CC(NC1)C(=O)N(CCCN)C(=O)CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H25N5O2/c18-8-2-10-22(17(24)14-3-1-9-21-14)15(23)11-12-4-6-13(7-5-12)16(19)20/h4-7,14,21H,1-3,8-11,18H2,(H3,19,20)