3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid

Systemtic Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutyl]carbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid Openeye Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]-3-(1H-pyrazol-5-yl)propanoic acid CAS Name: 3-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclobutyl]-oxomethyl]amino]-3-(1H-pyrazol-5-yl)propanoic acid IUPAC Name: 3-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclobutanecarbonyl]amino]-3-(1H-pyrazol-5-yl)propanoic acid Traditional Name: 3-[[2-[(4-amidinophenyl)carbamoyl]cyclobutanecarbonyl]amino]-3-(1H-pyrazol-5-yl)propionic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NC(CC(=O)O)C3=CC=NN3

Isomeric SMILES

C1CC(C1C(=O)NC2=CC=C(C=C2)C(=N)N)C(=O)NC(CC(=O)O)C3=CC=NN3

InChI

InChI=1S/C19H22N6O4/c20-17(21)10-1-3-11(4-2-10)23-18(28)12-5-6-13(12)19(29)24-15(9-16(26)27)14-7-8-22-25-14/h1-4,7-8,12-13,15H,5-6,9H2,(H3,20,21)(H,22,25)(H,23,28)(H,24,29)(H,26,27)