6-azanyl-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-7-(1H-imidazol-5-yl)-5-oxidanylidene-heptanoic acid

Systemtic Name: 6-azanyl-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-7-(1H-imidazol-5-yl)-5-oxidanylidene-heptanoic acid Openeye Name: 6-amino-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-7-(1H-imidazol-5-yl)-5-oxo-heptanoic acid CAS Name: 6-amino-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-7-(1H-imidazol-5-yl)-5-oxoheptanoic acid IUPAC Name: 6-amino-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-7-(1H-imidazol-5-yl)-5-oxoheptanoic acid Traditional Name: 6-amino-4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-7-(1H-imidazol-5-yl)-5-keto-enanthic acid Formula: C24H26N10O5 MolecularWeight: 534.52724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)C(CC2=CN=CN2)N)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)C(CC2=CN=CN2)N)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N

InChI

InChI=1S/C24H26N10O5/c25-16(7-14-8-27-11-30-14)20(37)17(5-6-18(35)36)32-22(38)12-1-3-13(4-2-12)28-9-15-10-29-21-19(31-15)23(39)34-24(26)33-21/h1-4,8,10-11,16-17,28H,5-7,9,25H2,(H,27,30)(H,32,38)(H,35,36)(H3,26,29,33,34,39)