N-[2-[2-azanylethanoyl(phenyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-(1H-indol-3-yl)propanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(1H-indol-3-yl)propanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-3-(1H-indol-3-yl)-1-oxopropyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(1H-indol-3-yl)propanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-(1H-indol-3-yl)propanoyl]benzamide Formula: C27H26N6O3 MolecularWeight: 482.53374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CC2=CNC3=CC=CC=C32)C(=O)NC(=O)C4=CC=CC(=C4)C(=N)N)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)N(C(CC2=CNC3=CC=CC=C32)C(=O)NC(=O)C4=CC=CC(=C4)C(=N)N)C(=O)CN

InChI

InChI=1S/C27H26N6O3/c28-15-24(34)33(20-9-2-1-3-10-20)23(14-19-16-31-22-12-5-4-11-21(19)22)27(36)32-26(35)18-8-6-7-17(13-18)25(29)30/h1-13,16,23,31H,14-15,28H2,(H3,29,30)(H,32,35,36)