2-[2-azanylethanoyl(phenyl)amino]-N-(3-carbamimidoylphenyl)carbonyl-butanediamide

Systemtic Name: 2-[2-azanylethanoyl(phenyl)amino]-N-(3-carbamimidoylphenyl)carbonyl-butanediamide Openeye Name: 2-(N-(2-aminoacetyl)anilino)-N-(3-carbamimidoylbenzoyl)butanediamide CAS Name: 2-(N-(2-amino-1-oxoethyl)anilino)-N-[(3-carbamimidoylphenyl)-oxomethyl]butanediamide IUPAC Name: 2-(N-(2-aminoacetyl)anilino)-N-(3-carbamimidoylbenzoyl)butanediamide Traditional Name: N-(3-amidinobenzoyl)-2-(N-glycylanilino)succinamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N6O4/c21-11-17(28)26(14-7-2-1-3-8-14)15(10-16(22)27)20(30)25-19(29)13-6-4-5-12(9-13)18(23)24/h1-9,15H,10-11,21H2,(H2,22,27)(H3,23,24)(H,25,29,30)