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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-phenyl-butanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-4-phenyl-butanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-phenylbutanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-phenylbutanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-phenyl-butyric acid Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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