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

Systemtic Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonyl-methyl-amino]propanoic acid Openeye Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]-methyl-amino]propanoic acid CAS Name: 3-[[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]-methylamino]propanoic acid IUPAC Name: 3-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]-methylamino]propanoic acid Traditional Name: 3-[[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]-methyl-amino]propionic acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N(C)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N(C)CCC(=O)O)N=C(C1=O)CC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H27N5O4/c1-29(12-9-21(31)32)24(34)25(10-11-25)17-7-8-20-18(14-17)28-19(23(33)30(20)2)13-15-3-5-16(6-4-15)22(26)27/h3-8,14H,9-13H2,1-2H3,(H3,26,27)(H,31,32)