(2S)-2-[[1-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl]piperidin-4-yl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[1-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl]piperidin-4-yl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]piperidine-4-carbonyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]-4-piperidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]piperidine-4-carbonyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[1-[(2-amino-4-keto-1H-pteridin-6-yl)methyl]isonipecotoyl]amino]glutaric acid Formula: C18H23N7O6 MolecularWeight: 433.41852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC(CCC(=O)O)C(=O)O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

C1CN(CCC1C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C18H23N7O6/c19-18-23-14-13(16(29)24-18)21-10(7-20-14)8-25-5-3-9(4-6-25)15(28)22-11(17(30)31)1-2-12(26)27/h7,9,11H,1-6,8H2,(H,22,28)(H,26,27)(H,30,31)(H3,19,20,23,24,29)/t11-/m0/s1