N-[2-[2-azanylethanoyl(phenyl)amino]-3-(4-hydroxyphenyl)propanoyl]-3-carbamimidoyl-benzamide

Systemtic Name: N-[2-[2-azanylethanoyl(phenyl)amino]-3-(4-hydroxyphenyl)propanoyl]-3-carbamimidoyl-benzamide Openeye Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(4-hydroxyphenyl)propanoyl]-3-carbamimidoyl-benzamide CAS Name: N-[2-(N-(2-amino-1-oxoethyl)anilino)-3-(4-hydroxyphenyl)-1-oxopropyl]-3-carbamimidoylbenzamide IUPAC Name: N-[2-(N-(2-aminoacetyl)anilino)-3-(4-hydroxyphenyl)propanoyl]-3-carbamimidoylbenzamide Traditional Name: 3-amidino-N-[2-(N-glycylanilino)-3-(4-hydroxyphenyl)propanoyl]benzamide Formula: C25H25N5O4 MolecularWeight: 459.4971

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(CC2=CC=C(C=C2)O)C(=O)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)N(C(CC2=CC=C(C=C2)O)C(=O)NC(=O)C3=CC=CC(=C3)C(=N)N)C(=O)CN

InChI

InChI=1S/C25H25N5O4/c26-15-22(32)30(19-7-2-1-3-8-19)21(13-16-9-11-20(31)12-10-16)25(34)29-24(33)18-6-4-5-17(14-18)23(27)28/h1-12,14,21,31H,13,15,26H2,(H3,27,28)(H,29,33,34)