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

Systemtic Name: diethyl (2S)-2-[[1-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methyl]piperidin-4-yl]carbonylamino]pentanedioate Openeye Name: diethyl (2S)-2-[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]piperidine-4-carbonyl]amino]pentanedioate CAS Name: (2S)-2-[[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]-4-piperidinyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl (2S)-2-[[1-[(2-amino-4-oxo-1H-pteridin-6-yl)methyl]piperidine-4-carbonyl]amino]pentanedioate Traditional Name: (2S)-2-[[1-[(2-amino-4-keto-1H-pteridin-6-yl)methyl]isonipecotoyl]amino]glutaric acid diethyl ester Formula: C22H31N7O6 MolecularWeight: 489.52484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1CCN(CC1)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1CCN(CC1)CC2=CN=C3C(=N2)C(=O)N=C(N3)N

InChI

InChI=1S/C22H31N7O6/c1-3-34-16(30)6-5-15(21(33)35-4-2)26-19(31)13-7-9-29(10-8-13)12-14-11-24-18-17(25-14)20(32)28-22(23)27-18/h11,13,15H,3-10,12H2,1-2H3,(H,26,31)(H3,23,24,27,28,32)/t15-/m0/s1