2-[2-azanylethanoyl(phenyl)amino]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-2-(phenylmethyl)propanoic acid

Systemtic Name: 2-[2-azanylethanoyl(phenyl)amino]-3-(3-carbamimidoylphenyl)-3-oxidanylidene-2-(phenylmethyl)propanoic acid Openeye Name: 2-(N-(2-aminoacetyl)anilino)-2-benzyl-3-(3-carbamimidoylphenyl)-3-oxo-propanoic acid CAS Name: 2-(N-(2-amino-1-oxoethyl)anilino)-3-(3-carbamimidoylphenyl)-3-oxo-2-(phenylmethyl)propanoic acid IUPAC Name: 2-(N-(2-aminoacetyl)anilino)-2-benzyl-3-(3-carbamimidoylphenyl)-3-oxopropanoic acid Traditional Name: 3-(3-amidinophenyl)-2-benzyl-2-(N-glycylanilino)-3-keto-propionic acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O4/c26-16-21(30)29(20-12-5-2-6-13-20)25(24(32)33,15-17-8-3-1-4-9-17)22(31)18-10-7-11-19(14-18)23(27)28/h1-14H,15-16,26H2,(H3,27,28)(H,32,33)