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

Systemtic Name: (2S,4R)-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4R)-1-acetyl-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S,4R)-1-acetyl-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S,4R)-1-acetyl-4-(3-carbamimidoylphenoxy)-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S,4R)-1-acetyl-N-(4-amidinobenzyl)-4-(3-amidinophenoxy)pyrrolidine-2-carboxamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2=CC=C(C=C2)C(=N)N)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=O)N1C[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/C22H26N6O3/c1-13(29)28-12-18(31-17-4-2-3-16(9-17)21(25)26)10-19(28)22(30)27-11-14-5-7-15(8-6-14)20(23)24/h2-9,18-19H,10-12H2,1H3,(H3,23,24)(H3,25,26)(H,27,30)/t18-,19+/m1/s1