2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[(4-carbamimidoylphenyl)amino]propanoic acid

Systemtic Name: 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-[(4-carbamimidoylphenyl)amino]propanoic acid Openeye Name: 2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]-3-(4-carbamimidoylanilino)propanoic acid CAS Name: 2-[[1,3-benzothiazol-5-yloxy(oxo)methyl]-(2-pyridinyl)amino]-3-(4-carbamimidoylanilino)propanoic acid IUPAC Name: 2-[1,3-benzothiazol-5-yloxycarbonyl(pyridin-2-yl)amino]-3-(4-carbamimidoylanilino)propanoic acid Traditional Name: 3-(4-amidinoanilino)-2-[1,3-benzothiazol-5-yloxycarbonyl(2-pyridyl)amino]propionic acid Formula: C23H20N6O4S MolecularWeight: 476.5077

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(C(CNC2=CC=C(C=C2)C(=N)N)C(=O)O)C(=O)OC3=CC4=C(C=C3)SC=N4

Isomeric SMILES

C1=CC=NC(=C1)N(C(CNC2=CC=C(C=C2)C(=N)N)C(=O)O)C(=O)OC3=CC4=C(C=C3)SC=N4

InChI

InChI=1S/C23H20N6O4S/c24-21(25)14-4-6-15(7-5-14)27-12-18(22(30)31)29(20-3-1-2-10-26-20)23(32)33-16-8-9-19-17(11-16)28-13-34-19/h1-11,13,18,27H,12H2,(H3,24,25)(H,30,31)