3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazolidin-1-yl]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-imidazolidin-1-yl]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolidinyl]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[3-(4-carbamimidoylphenyl)-2-oxoimidazolidin-1-yl]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[3-(4-amidinophenyl)-2-keto-imidazolidin-1-yl]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H22N6O4 MolecularWeight: 410.42648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CC(=O)NC(CC(=O)O)C2=CN=CC=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)N1CC(=O)NC(CC(=O)O)C2=CN=CC=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N6O4/c21-19(22)13-3-5-15(6-4-13)26-9-8-25(20(26)30)12-17(27)24-16(10-18(28)29)14-2-1-7-23-11-14/h1-7,11,16H,8-10,12H2,(H3,21,22)(H,24,27)(H,28,29)