2-[2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-3,4,5,6-tetrakis(oxidanyl)hexanoic acid

Systemtic Name: 2-[2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]oxy-3,4,5,6-tetrakis(oxidanyl)hexanoic acid Openeye Name: 2-[2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxo-pentanoyl]oxy-3,4,5,6-tetrahydroxy-hexanoic acid CAS Name: 2-[2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-hydroxy-1,5-dioxopentoxy]-3,4,5,6-tetrahydroxyhexanoic acid IUPAC Name: 2-[2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-oxopentanoyl]oxy-3,4,5,6-tetrahydroxyhexanoic acid Traditional Name: 2-[2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-hydroxy-5-keto-pentanoyl]oxy-3,4,5,6-tetrahydroxy-hexanoic acid Formula: C25H29N7O12 MolecularWeight: 619.53746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N7O12/c26-25-31-20-16(22(40)32-25)29-12(8-28-20)7-27-11-3-1-10(2-4-11)21(39)30-13(5-6-15(35)36)24(43)44-19(23(41)42)18(38)17(37)14(34)9-33/h1-4,8,13-14,17-19,27,33-34,37-38H,5-7,9H2,(H,30,39)(H,35,36)(H,41,42)(H3,26,28,31,32,40)