3-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid

Systemtic Name: 3-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-pyridin-2-yl-amino]propanoic acid Openeye Name: 3-[[2-[2-(5-carbamimidoyl-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propanoic acid CAS Name: 3-[[[2-[2-(5-carbamimidoyl-2-thiophenyl)ethyl]-1-methyl-5-benzimidazolyl]oxy-oxomethyl]-(2-pyridinyl)amino]propanoic acid IUPAC Name: 3-[[2-[2-(5-carbamimidoylthiophen-2-yl)ethyl]-1-methylbenzimidazol-5-yl]oxycarbonyl-pyridin-2-ylamino]propanoic acid Traditional Name: 3-[[2-[2-(5-amidino-2-thienyl)ethyl]-1-methyl-benzimidazol-5-yl]oxycarbonyl-(2-pyridyl)amino]propionic acid Formula: C24H24N6O4S MolecularWeight: 492.55016

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CCC4=CC=C(S4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CCC4=CC=C(S4)C(=N)N

InChI

InChI=1S/C24H24N6O4S/c1-29-18-8-5-15(34-24(33)30(13-11-22(31)32)20-4-2-3-12-27-20)14-17(18)28-21(29)10-7-16-6-9-19(35-16)23(25)26/h2-6,8-9,12,14H,7,10-11,13H2,1H3,(H3,25,26)(H,31,32)