2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]amino]ethanoic acid

Systemtic Name: 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]amino]ethanoic acid Openeye Name: 2-[[1-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]amino]acetic acid CAS Name: 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]amino]acetic acid IUPAC Name: 2-[[2-[3-[(3-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]acetic acid Traditional Name: 2-[[1-[3-(3-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]-2-keto-1-methyl-2-pyrrolidino-ethyl]amino]acetic acid Formula: C26H30N6O4 MolecularWeight: 490.5542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O4/c1-26(29-15-22(33)34,25(36)32-10-3-4-11-32)18-8-9-21-19(14-18)30-20(24(35)31(21)2)13-16-6-5-7-17(12-16)23(27)28/h5-9,12,14,29H,3-4,10-11,13,15H2,1-2H3,(H3,27,28)(H,33,34)