2-[[4-[[2-azanyl-4-oxidanylidene-5-(5-oxidanylpentyl)-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid; calcium

Systemtic Name: 2-[[4-[[2-azanyl-4-oxidanylidene-5-(5-oxidanylpentyl)-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid; calcium Openeye Name: 2-[[4-[[2-amino-5-(5-hydroxypentyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid; calcium CAS Name: 2-[[[4-[[2-amino-5-(5-hydroxypentyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid; calcium IUPAC Name: 2-[[4-[[2-amino-5-(5-hydroxypentyl)-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid; calcium Traditional Name: 2-[[4-[[2-amino-5-(5-hydroxypentyl)-4-keto-1,6,7,8-tetrahydropteridin-6-yl]methylamino]benzoyl]amino]glutaric acid; calcium Formula: C24H33CaN7O7 MolecularWeight: 571.63952

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=C(N1)NC(=NC2=O)N)CCCCCO)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca]

Isomeric SMILES

C1C(N(C2=C(N1)NC(=NC2=O)N)CCCCCO)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca]

InChI

InChI=1S/C24H33N7O7.Ca/c25-24-29-20-19(22(36)30-24)31(10-2-1-3-11-32)16(13-27-20)12-26-15-6-4-14(5-7-15)21(35)28-17(23(37)38)8-9-18(33)34;/h4-7,16-17,26,32H,1-3,8-13H2,(H,28,35)(H,33,34)(H,37,38)(H4,25,27,29,30,36);