(2S)-2-[[4-[[(2S)-2-azanyl-3-[[2,5-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]amino]propyl]amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[[(2S)-2-azanyl-3-[[2,5-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]amino]propyl]amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-[[(2S)-2-amino-3-[(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)amino]propyl]amino]benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[[(2S)-2-amino-3-[(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)amino]propyl]amino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-[[(2S)-2-amino-3-[(2,5-diamino-4-oxo-1H-pyrimidin-6-yl)amino]propyl]amino]benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[[(2S)-2-amino-3-[(2,5-diamino-4-keto-1H-pyrimidin-6-yl)amino]propyl]amino]benzoyl]amino]glutaric acid Formula: C19H26N8O6 MolecularWeight: 462.45974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC(CNC2=C(C(=O)N=C(N2)N)N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@@H](CNC2=C(C(=O)N=C(N2)N)N)N

InChI

InChI=1S/C19H26N8O6/c20-10(8-24-15-14(21)17(31)27-19(22)26-15)7-23-11-3-1-9(2-4-11)16(30)25-12(18(32)33)5-6-13(28)29/h1-4,10,12,23H,5-8,20-21H2,(H,25,30)(H,28,29)(H,32,33)(H4,22,24,26,27,31)/t10-,12-/m0/s1