3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxidanylidene-1H-quinoxalin-6-yl]-2-methyl-3-oxidanylidene-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-yl-propyl]-methyl-amino]-3-oxo-propanoic acid CAS Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-(1-pyrrolidinyl)propyl]-methylamino]-3-oxopropanoic acid IUPAC Name: 3-[[2-[3-[(4-carbamimidoylphenyl)methyl]-2-oxo-1H-quinoxalin-6-yl]-2-methyl-3-oxo-3-pyrrolidin-1-ylpropyl]-methylamino]-3-oxopropanoic acid Traditional Name: 3-[[2-[3-(4-amidinobenzyl)-2-keto-1H-quinoxalin-6-yl]-3-keto-2-methyl-3-pyrrolidino-propyl]-methyl-amino]-3-keto-propionic acid Formula: C28H32N6O5 MolecularWeight: 532.59088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C(=O)N4CCCC4

Isomeric SMILES

CC(CN(C)C(=O)CC(=O)O)(C1=CC2=C(C=C1)NC(=O)C(=N2)CC3=CC=C(C=C3)C(=N)N)C(=O)N4CCCC4

InChI

InChI=1S/C28H32N6O5/c1-28(27(39)34-11-3-4-12-34,16-33(2)23(35)15-24(36)37)19-9-10-20-21(14-19)31-22(26(38)32-20)13-17-5-7-18(8-6-17)25(29)30/h5-10,14H,3-4,11-13,15-16H2,1-2H3,(H3,29,30)(H,32,38)(H,36,37)