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

Systemtic Name: (2S)-2-[[4-[(2-acetamido-4-oxidanylidene-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[(2-acetamido-4-oxo-1H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[(2-acetamido-4-keto-1H-pteridin-6-yl)methylamino]benzoyl]amino]glutaric acid Formula: C21H21N7O7 MolecularWeight: 483.43414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=NC(=CN=C2N1)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H21N7O7/c1-10(29)24-21-27-17-16(19(33)28-21)25-13(9-23-17)8-22-12-4-2-11(3-5-12)18(32)26-14(20(34)35)6-7-15(30)31/h2-5,9,14,22H,6-8H2,1H3,(H,26,32)(H,30,31)(H,34,35)(H2,23,24,27,28,29,33)/t14-/m0/s1