RefChem:346143
(2S)-2-[[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoyl]amino]pentanedioic acid
Also Known As: Glutamic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanyl)-, L-|N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanyl)-L-glutamic acid|N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-D,L-alanyl)-L-glutamic acid|L-Glutamic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanyl)-|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-alanyl-L-glutamic acid|(2S)-2-[[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoyl]amino]pentanedioic acid
| Molecular Formula | C23H27N9O6 |
|---|---|
| Molecular Weight | 525.20844 g/mol |
| LogP | -0.2269 |
| Topological Polar Surface Area | 239.64 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 525.20844 |
| Monoisotopic Mass | 525.20844 |
| Heavy Atoms | 38 |
| Complexity | 1365.4907 |
Chemical Identifiers
| CAS Number | 68366-98-3 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N |
Product Overview
RefChem:346143 (CAS 68366-98-3), with molecular formula C23H27N9O6 and molecular weight 525.20844 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]propanoyl]amino]pentanedioic acid.