4-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methanoyl-amino]-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 4-[[4-[(2-azanyl-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]carbonyl-methanoyl-amino]-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 4-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]-formyl-amino]-5-hydroxy-5-oxo-pentanoate CAS Name: 4-[[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]-formylamino]-5-hydroxy-5-oxopentanoate IUPAC Name: 4-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]-formylamino]-5-hydroxy-5-oxopentanoate Traditional Name: 4-[[4-[(2-amino-4-keto-5,6,7,8-tetrahydro-1H-pteridin-6-yl)methylamino]benzoyl]-formyl-amino]-5-hydroxy-5-keto-valerate Formula: C20H22N7O7- MolecularWeight: 472.43138

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N(C=O)C(CCC(=O)[O-])C(=O)O

Isomeric SMILES

C1C(NC2=C(N1)NC(=NC2=O)N)CNC3=CC=C(C=C3)C(=O)N(C=O)C(CCC(=O)[O-])C(=O)O

InChI

InChI=1S/C20H23N7O7/c21-20-25-16-15(17(31)26-20)24-12(8-23-16)7-22-11-3-1-10(2-4-11)18(32)27(9-28)13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22,24H,5-8H2,(H,29,30)(H,33,34)(H4,21,23,25,26,31)/p-1