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

Systemtic Name: 2-azanylpentanedioic acid; 2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-aminopentanedioic acid; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid CAS Name: 2-aminopentanedioic acid; 2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-aminopentanedioic acid; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-aminoglutaric acid; 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid Formula: C40H58N12O21 MolecularWeight: 1042.95632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N8O5.4C5H9NO4/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;4*6-3(5(9)10)1-2-4(7)8/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);4*3H,1-2,6H2,(H,7,8)(H,9,10)