N-[2-[2-azanylethanoyl(phenyl)amino]-3-methyl-pentanoyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-methyl-pentanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-methyl-pentanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-3-methyl-1-oxopentyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-methylpentanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-methyl-pentanoyl]benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O3/c1-3-14(2)19(27(18(28)13-23)17-10-5-4-6-11-17)22(30)26-21(29)16-9-7-8-15(12-16)20(24)25/h4-12,14,19H,3,13,23H2,1-2H3,(H3,24,25)(H,26,29,30)