N-[2-[2-azanylethanoyl(phenyl)amino]-3-(4H-imidazol-4-yl)propanoyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-(4H-imidazol-4-yl)propanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(4H-imidazol-4-yl)propanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-3-(4H-imidazol-4-yl)-1-oxopropyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(4H-imidazol-4-yl)propanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-(4H-imidazol-4-yl)propanoyl]benzamide Formula: C22H23N7O3 MolecularWeight: 433.46312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CC2C=NC=N2)C(=O)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)N(C(CC2C=NC=N2)C(=O)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=O)CN

InChI

InChI=1S/C22H23N7O3/c23-11-19(30)29(17-7-2-1-3-8-17)18(10-16-12-26-13-27-16)22(32)28-21(31)15-6-4-5-14(9-15)20(24)25/h1-9,12-13,16,18H,10-11,23H2,(H3,24,25)(H,28,31,32)