2-[6-(3-aminophenyl)-2-oxidanyl-3-(pentan-3-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[6-(3-aminophenyl)-2-oxidanyl-3-(pentan-3-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-aminophenyl)-3-(1-ethylpropylamino)-2-hydroxy-phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-aminophenyl)-2-hydroxy-3-(pentan-3-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-aminophenyl)-2-hydroxy-3-(pentan-3-ylamino)phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-aminophenyl)-3-(1-ethylpropylamino)-2-hydroxy-phenyl]acetamide Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=C(C(=C(C=C1)C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

CCC(CC)NC1=C(C(=C(C=C1)C2=CC(=CC=C2)N)CC(=O)NCC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C27H33N5O2/c1-3-21(4-2)32-24-13-12-22(19-6-5-7-20(28)14-19)23(26(24)34)15-25(33)31-16-17-8-10-18(11-9-17)27(29)30/h5-14,21,32,34H,3-4,15-16,28H2,1-2H3,(H3,29,30)(H,31,33)