(2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-hexyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-hexyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-hexyl-pyrrolidine-2-carboxamide CAS Name: (2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-hexyl-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-hexylpyrrolidine-2-carboxamide Traditional Name: (2S,4R)-N-(4-amidinobenzyl)-4-(3-amidinophenoxy)-1-hexyl-pyrrolidine-2-carboxamide Formula: C26H36N6O2 MolecularWeight: 464.60304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CC(CC1C(=O)NCC2=CC=C(C=C2)C(=N)N)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CCCCCCN1C[C@@H](C[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C26H36N6O2/c1-2-3-4-5-13-32-17-22(34-21-8-6-7-20(14-21)25(29)30)15-23(32)26(33)31-16-18-9-11-19(12-10-18)24(27)28/h6-12,14,22-23H,2-5,13,15-17H2,1H3,(H3,27,28)(H3,29,30)(H,31,33)/t22-,23+/m1/s1