2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 2-[(1-aminocarbonylcyclopropyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-imidazol-2-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclopropyl)-oxomethyl]anilino)-3-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclopropanecarbonyl)anilino)-3-(1H-imidazol-2-yl)propionic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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=NC=CN3)C(=O)O

Isomeric SMILES

C1CC1(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=NC=CN3)C(=O)O

InChI

InChI=1S/C18H20N6O4/c19-14(20)10-1-3-11(4-2-10)24(17(28)18(5-6-18)16(21)27)12(15(25)26)9-13-22-7-8-23-13/h1-4,7-8,12H,5-6,9H2,(H3,19,20)(H2,21,27)(H,22,23)(H,25,26)