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

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-methyl-butanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-methyl-butanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-3-methyl-1-oxobutyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-methylbutanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-methyl-butanoyl]benzamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3/c1-13(2)18(26(17(27)12-22)16-9-4-3-5-10-16)21(29)25-20(28)15-8-6-7-14(11-15)19(23)24/h3-11,13,18H,12,22H2,1-2H3,(H3,23,24)(H,25,28,29)