3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxo-propanoic acid CAS Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]amino]-2-cyclopentyl-3-oxopropanoic acid IUPAC Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-oxopropanoic acid Traditional Name: 3-[[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropyl]amino]-2-cyclopentyl-3-keto-propionic acid Formula: C28H31N5O4 MolecularWeight: 501.57684

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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=CC=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=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H31N5O4/c1-33-22-11-10-19(28(12-13-28)32-25(34)23(27(36)37)17-4-2-3-5-17)15-20(22)31-21(26(33)35)14-16-6-8-18(9-7-16)24(29)30/h6-11,15,17,23H,2-5,12-14H2,1H3,(H3,29,30)(H,32,34)(H,36,37)