methyl 3-[[2-(4-carbamimidoylphenyl)-1-[3-oxidanylidene-3-(1-oxidanylidene-1,4-thiazinan-4-yl)propyl]benzimidazol-5-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[3-oxidanylidene-3-(1-oxidanylidene-1,4-thiazinan-4-yl)propyl]benzimidazol-5-yl]carbonylamino]propanoate Openeye Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzimidazole-5-carbonyl]amino]propanoate CAS Name: 3-[[[2-(4-carbamimidoylphenyl)-1-[3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propyl]-5-benzimidazolyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-carbamimidoylphenyl)-1-[3-oxo-3-(1-oxo-1,4-thiazinan-4-yl)propyl]benzimidazole-5-carbonyl]amino]propanoate Traditional Name: 3-[[2-(4-amidinophenyl)-1-[3-keto-3-(1-keto-1,4-thiazinan-4-yl)propyl]benzimidazole-5-carbonyl]amino]propionic acid methyl ester Formula: C26H30N6O5S MolecularWeight: 538.6186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)N4CCS(=O)CC4

Isomeric SMILES

COC(=O)CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=N)N)CCC(=O)N4CCS(=O)CC4

InChI

InChI=1S/C26H30N6O5S/c1-37-23(34)8-10-29-26(35)19-6-7-21-20(16-19)30-25(18-4-2-17(3-5-18)24(27)28)32(21)11-9-22(33)31-12-14-38(36)15-13-31/h2-7,16H,8-15H2,1H3,(H3,27,28)(H,29,35)