2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonyl-amino]ethanoic acid Openeye Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid CAS Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolinylsulfonyl)amino]acetic acid IUPAC Name: 2-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1,3-benzoxazol-5-yl]-quinolin-8-ylsulfonylamino]acetic acid Traditional Name: 2-[[2-[2-(4-amidinophenyl)ethyl]-1,3-benzoxazol-5-yl]-(8-quinolylsulfonyl)amino]acetic acid Formula: C27H23N5O5S MolecularWeight: 529.56702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)S(=O)(=O)N(CC(=O)O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=C(C=C5)C(=N)N)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)S(=O)(=O)N(CC(=O)O)C3=CC4=C(C=C3)OC(=N4)CCC5=CC=C(C=C5)C(=N)N)N=CC=C2

InChI

InChI=1S/C27H23N5O5S/c28-27(29)19-9-6-17(7-10-19)8-13-24-31-21-15-20(11-12-22(21)37-24)32(16-25(33)34)38(35,36)23-5-1-3-18-4-2-14-30-26(18)23/h1-7,9-12,14-15H,8,13,16H2,(H3,28,29)(H,33,34)