2-[3-(3-azanyl-5-oxidanyl-phenyl)-5-(propan-2-ylamino)pyrrolidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[3-(3-azanyl-5-oxidanyl-phenyl)-5-(propan-2-ylamino)pyrrolidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[3-(3-amino-5-hydroxy-phenyl)-5-(isopropylamino)pyrrolidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[3-(3-amino-5-hydroxyphenyl)-5-(propan-2-ylamino)-2-pyrrolidinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[3-(3-amino-5-hydroxyphenyl)-5-(propan-2-ylamino)pyrrolidin-2-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[3-(3-amino-5-hydroxy-phenyl)-5-(isopropylamino)pyrrolidin-2-yl]acetamide Formula: C23H32N6O2 MolecularWeight: 424.53918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1CC(C(N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)O)N

Isomeric SMILES

CC(C)NC1CC(C(N1)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CC(=CC(=C3)O)N

InChI

InChI=1S/C23H32N6O2/c1-13(2)28-21-10-19(16-7-17(24)9-18(30)8-16)20(29-21)11-22(31)27-12-14-3-5-15(6-4-14)23(25)26/h3-9,13,19-21,28-30H,10-12,24H2,1-2H3,(H3,25,26)(H,27,31)