3-[[1-[3-[(5-carbamimidoylpyridin-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-[3-[(5-carbamimidoylpyridin-2-yl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[[1-[3-[(5-carbamimidoyl-2-pyridyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxo-propanoic acid CAS Name: 3-[[1-[3-[(5-carbamimidoyl-2-pyridinyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]amino]-2-cyclopentyl-3-oxopropanoic acid IUPAC Name: 3-[[1-[3-[(5-carbamimidoylpyridin-2-yl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxopropanoic acid Traditional Name: 3-[[1-[3-[(5-amidino-2-pyridyl)methyl]-2-keto-1-methyl-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-keto-propionic acid Formula: C27H30N6O4 MolecularWeight: 502.5649

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)NC(=O)C(C4CCCC4)C(=O)O)N=C(C1=O)CC5=NC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)NC(=O)C(C4CCCC4)C(=O)O)N=C(C1=O)CC5=NC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H30N6O4/c1-33-21-9-7-17(27(10-11-27)32-24(34)22(26(36)37)15-4-2-3-5-15)12-19(21)31-20(25(33)35)13-18-8-6-16(14-30-18)23(28)29/h6-9,12,14-15,22H,2-5,10-11,13H2,1H3,(H3,28,29)(H,32,34)(H,36,37)