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

Systemtic Name: (4S)-4-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: (4S)-4-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (4S)-4-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: (4S)-4-[[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)O)C=O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

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

InChI

InChI=1S/C19H19N7O5/c20-19-25-16-15(18(31)26-19)23-13(8-22-16)7-21-11-3-1-10(2-4-11)17(30)24-12(9-27)5-6-14(28)29/h1-4,8-9,12,21H,5-7H2,(H,24,30)(H,28,29)(H3,20,22,25,26,31)/t12-/m0/s1