2-[2-[2-[2-[2-[2-[2-[[1-oxidanyl-1-oxidanylidene-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propan-2-yl]sulfamoyl]ethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethylsulfonylamino]-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[2-[2-[2-[2-[2-[2-[[1-oxidanyl-1-oxidanylidene-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propan-2-yl]sulfamoyl]ethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethylsulfonylamino]-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]carbonylamino]propanoic acid Openeye Name: 2-[2-[2-[2-[2-[2-[2-[[2-hydroxy-2-oxo-1-[[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]methyl]ethyl]sulfamoyl]ethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethylsulfonylamino]-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid CAS Name: 2-[2-[[2-[2-[2-[2-[[2-[[1-hydroxy-1-oxo-3-[[oxo-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methyl]amino]propan-2-yl]sulfamoyl]ethylamino]-oxomethoxy]ethoxy]ethoxy]ethoxy]ethoxy-oxomethyl]amino]ethylsulfonylamino]-3-[[oxo-[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[[1-hydroxy-1-oxo-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propan-2-yl]sulfamoyl]ethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethylsulfonylamino]-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid Traditional Name: 2-[2-[2-[2-[2-[2-[2-[[2-hydroxy-2-keto-1-[[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]methyl]ethyl]sulfamoyl]ethylcarbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethylsulfonylamino]-3-[[4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propionic acid Formula: C46H70N12O19S2 MolecularWeight: 1159.247

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NCCOC2=CC=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)CCNC(=O)OCCOCCOCCOCCOC(=O)NCCS(=O)(=O)NC(CNC(=O)C3=CC=C(C=C3)OCCNC4=NCCCN4)C(=O)O

Isomeric SMILES

C1CNC(=NC1)NCCOC2=CC=C(C=C2)C(=O)NCC(C(=O)O)NS(=O)(=O)CCNC(=O)OCCOCCOCCOCCOC(=O)NCCS(=O)(=O)NC(CNC(=O)C3=CC=C(C=C3)OCCNC4=NCCCN4)C(=O)O

InChI

InChI=1S/C46H70N12O19S2/c59-39(33-3-7-35(8-4-33)74-19-15-51-43-47-11-1-12-48-43)55-31-37(41(61)62)57-78(67,68)29-17-53-45(65)76-27-25-72-23-21-71-22-24-73-26-28-77-46(66)54-18-30-79(69,70)58-38(42(63)64)32-56-40(60)34-5-9-36(10-6-34)75-20-16-52-44-49-13-2-14-50-44/h3-10,37-38,57-58H,1-2,11-32H2,(H,53,65)(H,54,66)(H,55,59)(H,56,60)(H,61,62)(H,63,64)(H2,47,48,51)(H2,49,50,52)