2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-ethylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-ethyl-amino]benzoyl]amino]glutaric acid Formula: C21H24N8O5 MolecularWeight: 468.46586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H24N8O5/c1-2-29(10-12-9-24-18-16(25-12)17(22)27-21(23)28-18)13-5-3-11(4-6-13)19(32)26-14(20(33)34)7-8-15(30)31/h3-6,9,14H,2,7-8,10H2,1H3,(H,26,32)(H,30,31)(H,33,34)(H4,22,23,24,27,28)