3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-2-cyclopropyl-3-(1H-imidazol-2-yl)propionic acid Formula: C20H24N6O4 MolecularWeight: 412.44236

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(C(C2=NC=CN2)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1CC1C(C(C2=NC=CN2)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C20H24N6O4/c21-18(22)12-3-5-13(6-4-12)25-14(27)7-8-15(28)26-17(19-23-9-10-24-19)16(20(29)30)11-1-2-11/h3-6,9-11,16-17H,1-2,7-8H2,(H3,21,22)(H,23,24)(H,25,27)(H,26,28)(H,29,30)