AC1MIEKE
(2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]butanedioic acid
Also Known As: 6-AB-Gly-L-Asp|Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-, L-|N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-aspartic acid|N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-aspartic acid|L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-|N-(4-{[(2,4-Diaminopteridin-6-yl)methyl]amino}benzoyl)glycyl-L-aspartic acid|N-[N-[p-[[(2,4-Diamino-6-pteridinyl)methyl]amino]benzoyl]glycyl]-L-aspartic acid|(2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]butanedioic acid|(2S)-2-{2-[(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL]AMINO}PHENYL)FORMAMIDO]ACETAMIDO}BUTANEDIOIC ACID
| Molecular Formula | C20H21N9O6 |
|---|---|
| Molecular Weight | 483.16147 g/mol |
| LogP | -1.0298 |
| Topological Polar Surface Area | 248.43 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 483.16147 |
| Monoisotopic Mass | 483.16147 |
| Heavy Atoms | 35 |
| Complexity | 1282.0658 |
Chemical Identifiers
| CAS Number | 82151-89-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N |
Product Overview
AC1MIEKE (CAS 82151-89-1), with molecular formula C20H21N9O6 and molecular weight 483.16147 g/mol. IUPAC: (2S)-2-[[2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]acetyl]amino]butanedioic acid.