2-[[4-[[4-oxidanylidene-5-(3-oxidanylpropyl)-2-(3-oxidanylpropylamino)-1,6,7,8-tetrahydropteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[4-oxidanylidene-5-(3-oxidanylpropyl)-2-(3-oxidanylpropylamino)-1,6,7,8-tetrahydropteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-hydroxypropyl-[[5-(3-hydroxypropyl)-2-(3-hydroxypropylamino)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl]amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-hydroxypropyl-[[5-(3-hydroxypropyl)-2-(3-hydroxypropylamino)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-hydroxypropyl-[[5-(3-hydroxypropyl)-2-(3-hydroxypropylamino)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-hydroxypropyl-[[5-(3-hydroxypropyl)-2-(3-hydroxypropylamino)-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methyl]amino]benzoyl]amino]glutaric acid Formula: C28H41N7O9 MolecularWeight: 619.66664

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)NC(=NC2=O)NCCCO)CCCO)CN(CCCO)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C2=C(N1)NC(=NC2=O)NCCCO)CCCO)CN(CCCO)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C28H41N7O9/c36-13-1-10-29-28-32-24-23(26(42)33-28)35(12-3-15-38)20(16-30-24)17-34(11-2-14-37)19-6-4-18(5-7-19)25(41)31-21(27(43)44)8-9-22(39)40/h4-7,20-21,36-38H,1-3,8-17H2,(H,31,41)(H,39,40)(H,43,44)(H3,29,30,32,33,42)