(2S)-2-[[4-[2,4-bis(azanyl)-4-pyrimidin-5-yl-butyl]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: (2S)-2-[[4-[2,4-bis(azanyl)-4-pyrimidin-5-yl-butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: (2S)-2-[[4-(2,4-diamino-4-pyrimidin-5-yl-butyl)benzoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[[4-[2,4-diamino-4-(5-pyrimidinyl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[4-(2,4-diamino-4-pyrimidin-5-ylbutyl)benzoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[4-[2,4-diamino-4-(5-pyrimidyl)butyl]benzoyl]amino]glutaric acid Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CC(C2=CN=CN=C2)N)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(CC(C2=CN=CN=C2)N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

InChI

InChI=1S/C20H25N5O5/c21-15(8-16(22)14-9-23-11-24-10-14)7-12-1-3-13(4-2-12)19(28)25-17(20(29)30)5-6-18(26)27/h1-4,9-11,15-17H,5-8,21-22H2,(H,25,28)(H,26,27)(H,29,30)/t15?,16?,17-/m0/s1