4-azanyl-5-[4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-5-oxidanylidene-pentanoic acid Openeye Name: 4-amino-5-[4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]oxy-5-oxo-pentanoic acid CAS Name: 4-amino-5-[4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentoxy]-5-oxopentanoic acid IUPAC Name: 4-amino-5-[4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]oxy-5-oxopentanoic acid Traditional Name: 4-amino-5-[4-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]oxy-5-keto-valeric acid Formula: C24H26N8O9 MolecularWeight: 570.51144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)OC(=O)C(CCC(=O)O)N)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)OC(=O)C(CCC(=O)O)N)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C24H26N8O9/c25-14(5-7-16(33)34)23(40)41-17(35)8-6-15(22(38)39)30-20(36)11-1-3-12(4-2-11)27-9-13-10-28-19-18(29-13)21(37)32-24(26)31-19/h1-4,10,14-15,27H,5-9,25H2,(H,30,36)(H,33,34)(H,38,39)(H3,26,28,31,32,37)