4-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]butanoic acid

Systemtic Name: 4-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]butanoic acid Openeye Name: 4-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)butanoic acid CAS Name: 4-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)butanoic acid IUPAC Name: 4-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)butanoic acid Traditional Name: 4-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)butyric acid Formula: C16H20N4O4 MolecularWeight: 332.3544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N)C(=O)N(CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(CCCC(=O)O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H20N4O4/c17-13(18)10-3-5-11(6-4-10)20(9-1-2-12(21)22)15(24)16(7-8-16)14(19)23/h3-6H,1-2,7-9H2,(H3,17,18)(H2,19,23)(H,21,22)