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

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c21-20(22)14-6-8-15(9-7-14)23-17(25)10-11-18(26)24-16(12-19(27)28)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)