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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-(methylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(methylamino)-5-oxo-pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-(methylamino)-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(methylamino)-5-oxopentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-5-(methylamino)valeric acid Formula: C20H22N8O5 MolecularWeight: 454.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N8O5/c1-22-14(29)7-6-13(19(32)33)26-17(30)10-2-4-11(5-3-10)23-8-12-9-24-16-15(25-12)18(31)28-20(21)27-16/h2-5,9,13,23H,6-8H2,1H3,(H,22,29)(H,26,30)(H,32,33)(H3,21,24,27,28,31)