3-[[4-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-5-oxidanylidene-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-5-oxo-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,5-dioxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-5-oxopentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-5-keto-pentanoyl]amino]-3-phenyl-propionic acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(C=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCC(C=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H24N4O4/c22-21(23)15-6-8-16(9-7-15)24-17(13-26)10-11-19(27)25-18(12-20(28)29)14-4-2-1-3-5-14/h1-9,13,17-18,24H,10-12H2,(H3,22,23)(H,25,27)(H,28,29)