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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-(dimethylamino)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxo-pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-(dimethylamino)-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(dimethylamino)-5-oxopentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(dimethylamino)-5-keto-valeric acid Formula: C21H24N8O5 MolecularWeight: 468.46586

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Descriptors Computed from Structure

Canonical SMILES:

CN(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

CN(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/C21H24N8O5/c1-29(2)15(30)8-7-14(20(33)34)26-18(31)11-3-5-12(6-4-11)23-9-13-10-24-17-16(25-13)19(32)28-21(22)27-17/h3-6,10,14,23H,7-9H2,1-2H3,(H,26,31)(H,33,34)(H3,22,24,27,28,32)