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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-6-methyl-5-oxidanylidene-heptanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-6-methyl-5-oxo-heptanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-6-methyl-5-oxoheptanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-6-methyl-5-oxoheptanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-6-methyl-enanthic acid Formula: C22H25N7O5 MolecularWeight: 467.4778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(=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/C22H25N7O5/c1-11(2)16(30)8-7-15(21(33)34)27-19(31)12-3-5-13(6-4-12)24-9-14-10-25-18-17(26-14)20(32)29-22(23)28-18/h3-6,10-11,15,24H,7-9H2,1-2H3,(H,27,31)(H,33,34)(H3,23,25,28,29,32)