2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-phenyl-propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-phenyl-propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-3-phenylpropanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-phenylpropanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-phenyl-propionic acid Formula: C21H22N4O4 MolecularWeight: 394.42378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H22N4O4/c22-17(23)14-6-8-15(9-7-14)25(20(29)21(10-11-21)19(24)28)16(18(26)27)12-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H3,22,23)(H2,24,28)(H,26,27)