5-azanyl-2-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[(2-azanyl-5-methyl-4-oxidanylidene-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-en-1-yl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]-1-cyclohex-3-enyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[(2-amino-5-methyl-4-oxo-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[(2-amino-4-keto-5-methyl-1,8-dihydropteridin-6-yl)methylamino]cyclohex-3-ene-1-carbonyl]amino]-5-keto-valeric acid Formula: C20H28N8O5 MolecularWeight: 460.48692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CNC2=C1C(=O)N=C(N2)N)CNC3=CCC(CC3)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CN1C(=CNC2=C1C(=O)N=C(N2)N)CNC3=CCC(CC3)C(=O)NC(CCC(=O)N)C(=O)O

InChI

InChI=1S/C20H28N8O5/c1-28-12(9-24-16-15(28)18(31)27-20(22)26-16)8-23-11-4-2-10(3-5-11)17(30)25-13(19(32)33)6-7-14(21)29/h4,9-10,13,23H,2-3,5-8H2,1H3,(H2,21,29)(H,25,30)(H,32,33)(H4,22,24,26,27,31)