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

Systemtic Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-4-oxidanyl-1-pyridin-3-yl-butan-2-yl]benzamide Openeye Name: 4-[3-(aminomethyl)phenyl]-N-[2-[(3-carbamimidoylphenyl)methyl]-3-hydroxy-1-(3-pyridylmethyl)propyl]benzamide CAS Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-(3-pyridinyl)butan-2-yl]benzamide IUPAC Name: 4-[3-(aminomethyl)phenyl]-N-[3-[(3-carbamimidoylphenyl)methyl]-4-hydroxy-1-pyridin-3-ylbutan-2-yl]benzamide Traditional Name: N-[2-(3-amidinobenzyl)-3-hydroxy-1-(3-pyridylmethyl)propyl]-4-[3-(aminomethyl)phenyl]benzamide Formula: C31H33N5O2 MolecularWeight: 507.62602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN)C2=CC=C(C=C2)C(=O)NC(CC3=CN=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO

Isomeric SMILES

C1=CC(=CC(=C1)CN)C2=CC=C(C=C2)C(=O)NC(CC3=CN=CC=C3)C(CC4=CC=CC(=C4)C(=N)N)CO

InChI

InChI=1S/C31H33N5O2/c32-18-22-5-2-7-26(16-22)24-9-11-25(12-10-24)31(38)36-29(17-23-6-3-13-35-19-23)28(20-37)15-21-4-1-8-27(14-21)30(33)34/h1-14,16,19,28-29,37H,15,17-18,20,32H2,(H3,33,34)(H,36,38)