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

Systemtic Name: 2-[6-(3-aminophenyl)-3-(tert-butylamino)-2-oxidanyl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[6-(3-aminophenyl)-3-(tert-butylamino)-2-hydroxy-phenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[6-(3-aminophenyl)-3-(tert-butylamino)-2-hydroxyphenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[6-(3-aminophenyl)-3-(tert-butylamino)-2-hydroxyphenyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-(3-aminophenyl)-3-(tert-butylamino)-2-hydroxy-phenyl]acetamide Formula: C26H31N5O2 MolecularWeight: 445.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)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/C26H31N5O2/c1-26(2,3)31-22-12-11-20(18-5-4-6-19(27)13-18)21(24(22)33)14-23(32)30-15-16-7-9-17(10-8-16)25(28)29/h4-13,31,33H,14-15,27H2,1-3H3,(H3,28,29)(H,30,32)