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

Systemtic Name: (2S)-2-[[4-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]butanedioic acid Openeye Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid CAS Name: (2S)-2-[[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[4-[(2-amino-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]succinic acid Formula: C18H17N7O6 MolecularWeight: 427.37088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N7O6/c19-18-24-14-13(16(29)25-18)22-10(7-21-14)6-20-9-3-1-8(2-4-9)15(28)23-11(17(30)31)5-12(26)27/h1-4,7,11,20H,5-6H2,(H,23,28)(H,26,27)(H,30,31)(H3,19,21,24,25,29)/t11-/m0/s1