AC1Q5VCG
3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
Also Known As: 3-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)amino]pentanedioic acid|3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]|3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid|3-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzamido)pentanedioic acid|3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
| Molecular Formula | C20H22N8O5 |
|---|---|
| Molecular Weight | 454.17133 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 211.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 454.17133 |
| Monoisotopic Mass | 454.17133 |
| Heavy Atoms | 33 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 59-05-2 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=O)O)CC(=O)O |
| InChIKey | XGUYWWCTJUKORI-UHFFFAOYSA-N |
Product Overview
AC1Q5VCG (CAS 59-05-2), with molecular formula C20H22N8O5 and molecular weight 454.17133 g/mol. IUPAC: 3-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid.
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