4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-1-cyclohexyl-4-oxidanyl-butan-2-yl]benzamide

Systemtic Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-1-cyclohexyl-4-oxidanyl-butan-2-yl]benzamide Openeye Name: 4-[3-(aminomethyl)phenyl]-N-[2-[(3-carbamimidoylphenyl)methyl]-1-(cyclohexylmethyl)-3-hydroxy-propyl]benzamide CAS Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-1-cyclohexyl-4-hydroxybutan-2-yl]benzamide IUPAC Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-1-cyclohexyl-4-hydroxybutan-2-yl]benzamide Traditional Name: N-[2-(3-amidinobenzyl)-1-(cyclohexylmethyl)-3-hydroxy-propyl]-4-[3-(aminomethyl)phenyl]benzamide Formula: C32H40N4O2 MolecularWeight: 512.6856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)CN

Isomeric SMILES

C1CCC(CC1)CC(C(CC2=CC=CC(=C2)C(=N)N)CO)NC(=O)C3=CC=C(C=C3)C4=CC(=CC=C4)CN

InChI

InChI=1S/C32H40N4O2/c33-20-24-9-5-10-27(18-24)25-12-14-26(15-13-25)32(38)36-30(19-22-6-2-1-3-7-22)29(21-37)17-23-8-4-11-28(16-23)31(34)35/h4-5,8-16,18,22,29-30,37H,1-3,6-7,17,19-21,33H2,(H3,34,35)(H,36,38)