3-[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)-phenyl-amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(N-(4-carbamimidoylphenyl)anilino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(N-(4-amidinophenyl)anilino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O4/c27-26(28)19-11-13-21(14-12-19)30(20-9-5-2-6-10-20)24(32)16-15-23(31)29-22(17-25(33)34)18-7-3-1-4-8-18/h1-14,22H,15-17H2,(H3,27,28)(H,29,31)(H,33,34)