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

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-keto-valeric acid Formula: C19H19N7O5 MolecularWeight: 425.39806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC=O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C19H19N7O5/c20-19-25-15-14(17(29)26-19)23-12(9-22-15)8-21-11-5-3-10(4-6-11)16(28)24-13(18(30)31)2-1-7-27/h3-7,9,13,21H,1-2,8H2,(H,24,28)(H,30,31)(H3,20,22,25,26,29)/t13-/m0/s1