N-[6-azanyl-2-[2-azanylethanoyl(phenyl)amino]hexanoyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[6-azanyl-2-[2-azanylethanoyl(phenyl)amino]hexanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[6-amino-2-(N-(2-aminoacetyl)anilino)hexanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[6-amino-2-(N-(2-amino-1-oxoethyl)anilino)-1-oxohexyl]-3-carbamimidoylbenzamide IUPAC Name: N-[6-amino-2-(N-(2-aminoacetyl)anilino)hexanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[6-amino-2-(N-glycylanilino)hexanoyl]benzamide Formula: C22H28N6O3 MolecularWeight: 424.49612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CCCCN)C(=O)NC(=O)C2=CC=CC(=C2)C(=N)N)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)N(C(CCCCN)C(=O)NC(=O)C2=CC=CC(=C2)C(=N)N)C(=O)CN

InChI

InChI=1S/C22H28N6O3/c23-12-5-4-11-18(28(19(29)14-24)17-9-2-1-3-10-17)22(31)27-21(30)16-8-6-7-15(13-16)20(25)26/h1-3,6-10,13,18H,4-5,11-12,14,23-24H2,(H3,25,26)(H,27,30,31)