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

Systemtic Name: 2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-5-(2-sulfanylethylamino)pentanoic acid Openeye Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-5-(2-sulfanylethylamino)pentanoic acid CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-(2-mercaptoethylamino)-5-oxopentanoic acid IUPAC Name: 2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-5-(2-sulfanylethylamino)pentanoic acid Traditional Name: 2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-5-(2-mercaptoethylamino)valeric acid Formula: C21H24N8O5S MolecularWeight: 500.53086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N8O5S/c22-21-28-17-16(19(32)29-21)26-13(10-25-17)9-24-12-3-1-11(2-4-12)18(31)27-14(20(33)34)5-6-15(30)23-7-8-35/h1-4,10,14,24,35H,5-9H2,(H,23,30)(H,27,31)(H,33,34)(H3,22,25,28,29,32)