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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-(2-bromanylethanoyloxy)-5-oxidanylidene-pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(2-bromoacetyl)oxy-5-oxo-pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-(2-bromo-1-oxoethoxy)-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(2-bromoacetyl)oxy-5-oxopentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-(2-bromoacetyl)oxy-5-keto-valeric acid Formula: C21H20BrN7O7 MolecularWeight: 562.3302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)OC(=O)CBr)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC(CCC(=O)OC(=O)CBr)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C21H20BrN7O7/c22-7-15(31)36-14(30)6-5-13(20(34)35)27-18(32)10-1-3-11(4-2-10)24-8-12-9-25-17-16(26-12)19(33)29-21(23)28-17/h1-4,9,13,24H,5-8H2,(H,27,32)(H,34,35)(H3,23,25,28,29,33)