Lysine-methotrexate
6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid
Also Known As: Lysine-methotrexate|ADMPL|N(alpha)-(p-Amino-4-deoxy-N(10)-methylpteroyl)lysine|6-amino-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)hexanoic acid|6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid|6-Amino-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-hexanoic acid
| Molecular Formula | C21H27N9O3 |
|---|---|
| Molecular Weight | 453.2237 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 199.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 453.2237 |
| Monoisotopic Mass | 453.2237 |
| Heavy Atoms | 33 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 80407-56-3 |
|---|---|
| SMILES | CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCCCN)C(=O)O |
| InChIKey | XERJQLWAFDLUGV-UHFFFAOYSA-N |
Product Overview
Lysine-methotrexate (CAS 80407-56-3), with molecular formula C21H27N9O3 and molecular weight 453.2237 g/mol. IUPAC: 6-amino-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]hexanoic acid.
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