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

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-phenyl-propanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-phenyl-propanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-1-oxo-3-phenylpropyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-phenylpropanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-phenyl-propanoyl]benzamide Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(=O)C2=CC=CC(=C2)C(=N)N)N(C3=CC=CC=C3)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(=O)C2=CC=CC(=C2)C(=N)N)N(C3=CC=CC=C3)C(=O)CN

InChI

InChI=1S/C25H25N5O3/c26-16-22(31)30(20-12-5-2-6-13-20)21(14-17-8-3-1-4-9-17)25(33)29-24(32)19-11-7-10-18(15-19)23(27)28/h1-13,15,21H,14,16,26H2,(H3,27,28)(H,29,32,33)