1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylpiperidine-2-carboxylic acid

Systemtic Name: 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxidanylidene-quinoxalin-6-yl]cyclopropyl]carbonylpiperidine-2-carboxylic acid Openeye Name: 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-quinoxalin-6-yl]cyclopropanecarbonyl]piperidine-2-carboxylic acid CAS Name: 1-[[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxo-6-quinoxalinyl]cyclopropyl]-oxomethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-[3-[(4-carbamimidoylphenyl)methyl]-1-methyl-2-oxoquinoxalin-6-yl]cyclopropanecarbonyl]piperidine-2-carboxylic acid Traditional Name: 1-[1-[3-(4-amidinobenzyl)-2-keto-1-methyl-quinoxalin-6-yl]cyclopropanecarbonyl]pipecolinic acid Formula: C27H29N5O4 MolecularWeight: 487.55026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N4CCCCC4C(=O)O)N=C(C1=O)CC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C3(CC3)C(=O)N4CCCCC4C(=O)O)N=C(C1=O)CC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H29N5O4/c1-31-21-10-9-18(27(11-12-27)26(36)32-13-3-2-4-22(32)25(34)35)15-19(21)30-20(24(31)33)14-16-5-7-17(8-6-16)23(28)29/h5-10,15,22H,2-4,11-14H2,1H3,(H3,28,29)(H,34,35)