(2S)-2-[[4-[[(6S)-2-azanyl-4-oxidanylidene-3,6-dihydro-2H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[(6S)-2-azanyl-4-oxidanylidene-3,6-dihydro-2H-pteridin-6-yl]methylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[(6S)-2-amino-4-oxo-3,6-dihydro-2H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[(6S)-2-amino-4-oxo-3,6-dihydro-2H-pteridin-6-yl]methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[(6S)-2-amino-4-oxo-3,6-dihydro-2H-pteridin-6-yl]methylamino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[(6S)-2-amino-4-keto-3,6-dihydro-2H-pteridin-6-yl]methylamino]benzoyl]amino]glutaric acid Formula: C19H21N7O6 MolecularWeight: 443.41334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=NC(NC(=O)C3=N2)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=NC(NC(=O)C3=N2)N

InChI

InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,11-12,19,21H,5-7,20H2,(H,24,29)(H,26,30)(H,27,28)(H,31,32)/t11-,12-,19?/m0/s1