2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-pyrazol-5-yl)propanoic acid

Systemtic Name: 2-[(1-aminocarbonylcyclobutyl)carbonyl-(4-carbamimidoylphenyl)amino]-3-(1H-pyrazol-5-yl)propanoic acid Openeye Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrazol-5-yl)propanoic acid CAS Name: 2-(4-carbamimidoyl-N-[(1-carbamoylcyclobutyl)-oxomethyl]anilino)-3-(1H-pyrazol-5-yl)propanoic acid IUPAC Name: 2-(4-carbamimidoyl-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrazol-5-yl)propanoic acid Traditional Name: 2-(4-amidino-N-(1-carbamoylcyclobutanecarbonyl)anilino)-3-(1H-pyrazol-5-yl)propionic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=NN3)C(=O)O

Isomeric SMILES

C1CC(C1)(C(=O)N)C(=O)N(C2=CC=C(C=C2)C(=N)N)C(CC3=CC=NN3)C(=O)O

InChI

InChI=1S/C19H22N6O4/c20-15(21)11-2-4-13(5-3-11)25(18(29)19(17(22)28)7-1-8-19)14(16(26)27)10-12-6-9-23-24-12/h2-6,9,14H,1,7-8,10H2,(H3,20,21)(H2,22,28)(H,23,24)(H,26,27)